Guineenoside C
- Family: Plantae - Piperaceae
- Kingdom: Plantae
-
Class: Saponin
- Subclass: Triterpenoid Saponin
Canonical Smiles | [C@@H]1([C@H](C[C@]2([C@H]([C@@]1(CO)C)CC[C@@]1(C)[C@]3(C)C[C@H]([C@]4(C(=C)OC5OCC(O)C(OC6C(C(C(C(O6)C)OC6C(C(C(C(O6)C)O)O)O)O)O)C5O)C(C3=CC[C@H]21)CC(CC4)(C)C)O)C)O)OC1OC(C(O)C(OC2C(C(C(C(O2)C)OC2OCC(O)C(O)C2O)OC2C(C(C(C(O2)C)OC2OCC(O)C(O)C2OC2OCC(O)C(OC3C(C(C(C(O3)C)O)O)O)C2O)O)O)O)C1O)C |
---|---|
InChI | InChI=1S/C87H142O45/c1-28-45(95)50(100)55(105)75(117-28)124-63-31(4)120-77(57(107)52(63)102)128-66-40(92)25-114-73(59(66)109)123-34(7)87-19-18-82(8,9)20-36(87)35-14-15-43-83(10)21-37(89)71(84(11,27-88)42(83)16-17-85(43,12)86(35,13)22-44(87)94)132-80-61(111)68(47(97)30(3)119-80)129-79-62(112)69(65(33(6)122-79)126-72-54(104)48(98)38(90)23-113-72)130-78-58(108)53(103)64(32(5)121-78)125-81-70(49(99)39(91)24-116-81)131-74-60(110)67(41(93)26-115-74)127-76-56(106)51(101)46(96)29(2)118-76/h14,28-33,36-81,88-112H,7,15-27H2,1-6,8-13H3/t28?,29?,30?,31?,32?,33?,36?,37-,38?,39?,40?,41?,42+,43+,44+,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,62?,63?,64?,65?,66?,67?,68?,69?,70?,71-,72?,73?,74?,75?,76?,77?,78?,79?,80?,81?,83-,84-,85+,86+,87+/m0/s1 |
InChIKey | DNKRZQFLFFAWED-OSYLIMOASA-N |
Formula | C87H142O45 |
HBA | 45 |
HBD | 25 |
MW | 1908.05 |
Rotatable Bonds | 22 |
TPSA | 690.35 |
LogP | -8.47 |
Number Rings | 15 |
Number Aromatic Rings | 0 |
Heavy Atom Count | 132 |
Formal Charge | 0 |
Fraction CSP3 | 0.95 |
Exact Mass | 1906.88 |
Number of Lipinski Rule Violations | 3 |
# | Species | Family | Kingdom | NCBI Taxonomy ID |
---|---|---|---|---|
1 | Piper guineense | Piperaceae | Plantae | 511543 |
Showing of synonyms
No compound-protein relationship available.
SMILES: O1CCCCC1OC2CCC(OC2)OC3CC(OCC3)OC(=C)C45C(CCCC5)C=6C(CC4)C7C(CC6)C8C(CC7)CC(CC8)OC(OCC9)CC9OC(C1)OCC(OC2CCCCO2)C1OC(OC1)CCC1OC(OCCC1)C1OC(OCC1)CC1OC1CCCCO1
Level: 10
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2CCC(OC2)OC3CC(OCC3)OC(=C)C45C(CCCC5)C=6C(CC4)C7C(CC6)C8C(CC7)CC(CC8)OC(OCC9)CC9OC(OCC1)CC1OC(OC1)CCC1OC(OCCC1)C1OC(OCC1)CC1OC1CCCCO1
Level: 9
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2CCC(OC2)OC3CC(OCC3)OC(=C)C45C(CCCC5)C=6C(CC4)C7C(CC6)C8C(CC7)CC(CC8)OC(OCC9)CC9OC(C1)OCC(OC2CCCCO2)C1OC(OC1)CCC1OC(OCCC1)C1OC1CCCCO1
Level: 9
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2CC(OCC2)OC(=C)C34C(CCCC4)C=5C(CC3)C6C(CC5)C7C(CC6)CC(CC7)OC(OCC8)CC8OC(C9)OCC(OC1CCCCO1)C9OC(OC1)CCC1OC(OCCC1)C1OC(OCC1)CC1OC1CCCCO1
Level: 9
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2CCC(OC2)OC3CC(OCC3)OC(=C)C45C(CCCC5)C=6C(CC4)C7C(CC6)C8C(CC7)CC(CC8)OC(OCC9)CC9OC(OCC1)CC1OC(OC1)CCC1OC(OCCC1)C1OC1CCCCO1
Level: 8
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2CCC(OC2)OC3CC(OCC3)OC(=C)C45C(CCCC5)C=6C(CC4)C7C(CC6)C8C(CC7)CC(CC8)OC(OCC9)CC9OC(C1)OCC(OC2CCCCO2)C1OC(OC1)CCC1OC1CCCCO1
Level: 8
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2CC(OCC2)OC(=C)C34C(CCCC4)C=5C(CC3)C6C(CC5)C7C(CC6)CC(CC7)OC(OCC8)CC8OC(OCC9)CC9OC(OC1)CCC1OC(OCCC1)C1OC(OCC1)CC1OC1CCCCO1
Level: 8
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2CC(OCC2)OC(=C)C34C(CCCC4)C=5C(CC3)C6C(CC5)C7C(CC6)CC(CC7)OC(OCC8)CC8OC(C9)OCC(OC1CCCCO1)C9OC(OC1)CCC1OC(OCCC1)C1OC1CCCCO1
Level: 8
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC(=C)C23C(CCCC3)C=4C(CC2)C5C(CC4)C6C(CC5)CC(CC6)OC(OCC7)CC7OC(C8)OCC(OC9CCCCO9)C8OC(OC1)CCC1OC(OCCC1)C1OC(OCC1)CC1OC1CCCCO1
Level: 8
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2CCC(OC2)OC3CC(OCC3)OC(=C)C45C(CCCC5)C=6C(CC4)C7C(CC6)C8C(CC7)CC(CC8)OC(OCC9)CC9OC(OCC1)CC1OC(OC1)CCC1OC1CCCCO1
Level: 7
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2CCC(OC2)OC3CC(OCC3)OC(=C)C45C(CCCC5)C=6C(CC4)C7C(CC6)C8C(CC7)CC(CC8)OC(OCC9)CC9OC(C1)OCC(OC2CCCCO2)C1OC1CCCCO1
Level: 7
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2CC(OCC2)OC(=C)C34C(CCCC4)C=5C(CC3)C6C(CC5)C7C(CC6)CC(CC7)OC(OCC8)CC8OC(OCC9)CC9OC(OC1)CCC1OC(OCCC1)C1OC1CCCCO1
Level: 7
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2CC(OCC2)OC(=C)C34C(CCCC4)C=5C(CC3)C6C(CC5)C7C(CC6)CC(CC7)OC(OCC8)CC8OC(C9)OCC(OC1CCCCO1)C9OC(OC1)CCC1OC1CCCCO1
Level: 7
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC(=C)C23C(CCCC3)C=4C(CC2)C5C(CC4)C6C(CC5)CC(CC6)OC(OCC7)CC7OC(OCC8)CC8OC(OC9)CCC9OC(OCCC1)C1OC(OCC1)CC1OC1CCCCO1
Level: 7
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC(=C)C23C(CCCC3)C=4C(CC2)C5C(CC4)C6C(CC5)CC(CC6)OC(OCC7)CC7OC(C8)OCC(OC9CCCCO9)C8OC(OC1)CCC1OC(OCCC1)C1OC1CCCCO1
Level: 7
Mol. Weight: 1908.05 g/mol
SMILES: C1CCCC2C1CCC(C2=3)C4C(CC3)C5C(CC4)CC(CC5)OC(OCC6)CC6OC(C7)OCC(OC8CCCCO8)C7OC(OC9)CCC9OC(OCCC1)C1OC(OCC1)CC1OC1CCCCO1
Level: 7
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2CCC(OC2)OC3CC(OCC3)OC(=C)C45C(CCCC5)C=6C(CC4)C7C(CC6)C8C(CC7)CC(CC8)OC(OCC9)CC9OC(OCC1)CC1OC1CCCCO1
Level: 6
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2CCC(OC2)OC3CC(OCC3)OC(=C)C45C(CCCC5)C=6C(CC4)C7C(CC6)C8C(CC7)CC(CC8)OC(OCC9)CC9OC(OC1)CCC1OC1CCCCO1
Level: 6
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2CC(OCC2)OC(=C)C34C(CCCC4)C=5C(CC3)C6C(CC5)C7C(CC6)CC(CC7)OC(OCC8)CC8OC(OCC9)CC9OC(OC1)CCC1OC1CCCCO1
Level: 6
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2CC(OCC2)OC(=C)C34C(CCCC4)C=5C(CC3)C6C(CC5)C7C(CC6)CC(CC7)OC(OCC8)CC8OC(C9)OCC(OC1CCCCO1)C9OC1CCCCO1
Level: 6
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC(=C)C23C(CCCC3)C=4C(CC2)C5C(CC4)C6C(CC5)CC(CC6)OC(OCC7)CC7OC(OCC8)CC8OC(OC9)CCC9OC(OCCC1)C1OC1CCCCO1
Level: 6
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC(=C)C23C(CCCC3)C=4C(CC2)C5C(CC4)C6C(CC5)CC(CC6)OC(OCC7)CC7OC(C8)OCC(OC9CCCCO9)C8OC(OC1)CCC1OC1CCCCO1
Level: 6
Mol. Weight: 1908.05 g/mol
SMILES: C1CCCC2C1CCC(C2=3)C4C(CC3)C5C(CC4)CC(CC5)OC(OCC6)CC6OC(OCC7)CC7OC(OC8)CCC8OC(OCCC9)C9OC(OCC1)CC1OC1CCCCO1
Level: 6
Mol. Weight: 1908.05 g/mol
SMILES: C1CCCC2C1CCC(C2=3)C4C(CC3)C5C(CC4)CC(CC5)OC(OCC6)CC6OC(C7)OCC(OC8CCCCO8)C7OC(OC9)CCC9OC(OCCC1)C1OC1CCCCO1
Level: 6
Mol. Weight: 1908.05 g/mol
SMILES: C1COCCC1OC(C2)OCC(OC3CCCCO3)C2OC(OC4)CCC4OC(OCCC5)C5OC(OCC6)CC6OC7CCCCO7
Level: 6
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2CCC(OC2)OC3CC(OCC3)OC(=C)C45C(CCCC5)C=6C(CC4)C7C(CC6)C8C(CC7)CC(CC8)OC(OCC9)CC9OC1CCCCO1
Level: 5
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2CC(OCC2)OC(=C)C34C(CCCC4)C=5C(CC3)C6C(CC5)C7C(CC6)CC(CC7)OC(OCC8)CC8OC(OCC9)CC9OC1CCCCO1
Level: 5
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2CC(OCC2)OC(=C)C34C(CCCC4)C=5C(CC3)C6C(CC5)C7C(CC6)CC(CC7)OC(OCC8)CC8OC(OC9)CCC9OC1CCCCO1
Level: 5
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC(=C)C23C(CCCC3)C=4C(CC2)C5C(CC4)C6C(CC5)CC(CC6)OC(OCC7)CC7OC(OCC8)CC8OC(OC9)CCC9OC1CCCCO1
Level: 5
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC(=C)C23C(CCCC3)C=4C(CC2)C5C(CC4)C6C(CC5)CC(CC6)OC(OCC7)CC7OC(C8)OCC(OC9CCCCO9)C8OC1CCCCO1
Level: 5
Mol. Weight: 1908.05 g/mol
SMILES: C1CCCC2C1CCC(C2=3)C4C(CC3)C5C(CC4)CC(CC5)OC(OCC6)CC6OC(OCC7)CC7OC(OC8)CCC8OC(OCCC9)C9OC1CCCCO1
Level: 5
Mol. Weight: 1908.05 g/mol
SMILES: C1CCCC2C1CCC(C2=3)C4C(CC3)C5C(CC4)CC(CC5)OC(OCC6)CC6OC(C7)OCC(OC8CCCCO8)C7OC(OC9)CCC9OC1CCCCO1
Level: 5
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2CC(OCC2)OC3C(OCCC3)OC4CCC(OC4)OC5CC(OCC5)OC6CCOCC6
Level: 5
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC(COCC2)C2OC(OC3)CCC3OC(OCCC4)C4OC(OCC5)CC5OC6CCCCO6
Level: 5
Mol. Weight: 1908.05 g/mol
SMILES: C1COCCC1OC(C2)OCC(OC3CCCCO3)C2OC(OC4)CCC4OC(OCCC5)C5OC6CCCCO6
Level: 5
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2CCC(OC2)OC3CC(OCC3)OC(=C)C45C(CCCC5)C=6C(CC4)C7C(CC6)C8C(CC7)CC(CC8)OC9CCCCO9
Level: 4
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2CC(OCC2)OC(=C)C34C(CCCC4)C=5C(CC3)C6C(CC5)C7C(CC6)CC(CC7)OC(OCC8)CC8OC9CCCCO9
Level: 4
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC(=C)C23C(CCCC3)C=4C(CC2)C5C(CC4)C6C(CC5)CC(CC6)OC(OCC7)CC7OC(OCC8)CC8OC9CCCCO9
Level: 4
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC(=C)C23C(CCCC3)C=4C(CC2)C5C(CC4)C6C(CC5)CC(CC6)OC(OCC7)CC7OC(OC8)CCC8OC9CCCCO9
Level: 4
Mol. Weight: 1908.05 g/mol
SMILES: C1CCCC2C1CCC(C2=3)C4C(CC3)C5C(CC4)CC(CC5)OC(OCC6)CC6OC(OCC7)CC7OC(OC8)CCC8OC9CCCCO9
Level: 4
Mol. Weight: 1908.05 g/mol
SMILES: C1CCCC2C1CCC(C2=3)C4C(CC3)C5C(CC4)CC(CC5)OC(OCC6)CC6OC(C7)OCC(OC8CCCCO8)C7OC9CCCCO9
Level: 4
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2CC(OCC2)OC3C(OCCC3)OC4CCC(OC4)OC5CCOCC5
Level: 4
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2C(OCCC2)OC3CCC(OC3)OC4CC(OCC4)OC5CCOCC5
Level: 4
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC(COCC2)C2OC(OC3)CCC3OC(OCCC4)C4OC5CCCCO5
Level: 4
Mol. Weight: 1908.05 g/mol
SMILES: C1COCCC1OC(C2)OCC(OC3CCCCO3)C2OC(OC4)CCC4OC5CCCCO5
Level: 4
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2CC(OCC2)OC(=C)C34C(CCCC4)C=5C(CC3)C6C(CC5)C7C(CC6)CC(CC7)OC8CCCCO8
Level: 3
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC(=C)C23C(CCCC3)C=4C(CC2)C5C(CC4)C6C(CC5)CC(CC6)OC(OCC7)CC7OC8CCCCO8
Level: 3
Mol. Weight: 1908.05 g/mol
SMILES: C1CCCC(CC2)C1C(CC3)C2C(CC4)C=3C(CCCC5)C45C(=C)OC(OCC6)CC6OC(OC7)CCC7OC8CCCCO8
Level: 3
Mol. Weight: 1908.05 g/mol
SMILES: C1CCCC2C1CCC(C2=3)C4C(CC3)C5C(CC4)CC(CC5)OC(OCC6)CC6OC(OCC7)CC7OC8CCCCO8
Level: 3
Mol. Weight: 1908.05 g/mol
SMILES: C1CCCC2C1CCC(C2=3)C4C(CC3)C5C(CC4)CC(CC5)OC(OCC6)CC6OC(OC7)CCC7OC8CCCCO8
Level: 3
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2C(OCCC2)OC3CCC(OC3)OC4CCOCC4
Level: 3
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2C(OC3CCCCO3)COC(C2)OC4CCOCC4
Level: 3
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC(COCC2)C2OC(OC3)CCC3OC4CCCCO4
Level: 3
Mol. Weight: 1908.05 g/mol
SMILES: C1OCCCC1OC(OCCC2)C2OC(OCC3)CC3OC4CCCCO4
Level: 3
Mol. Weight: 1908.05 g/mol
SMILES: C1COCCC1OC(OCC2)CC2OC(OC3)CCC3OC4CCCCO4
Level: 3
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2CC(OCC2)OC(=C)C34C(CCCC4)C=5C(CC3)C6C(CC5)C7C(CC6)CCCC7
Level: 2
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC(=C)C23C(CCCC3)C=4C(CC2)C5C(CC4)C6C(CC5)CC(CC6)OC7CCCCO7
Level: 2
Mol. Weight: 1908.05 g/mol
SMILES: C1CCCC2C1CCC(C2=3)C4C(CC3)C5C(CC4)CC(CC5)OC(OCC6)CC6OC7CCCCO7
Level: 2
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2CC(OCC2)OC3CCOCC3
Level: 2
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2CC(OCC2)OC3CCCOC3
Level: 2
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2C(OCCC2)OC3CCCOC3
Level: 2
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC2C(COCC2)OC3CCCCO3
Level: 2
Mol. Weight: 1908.05 g/mol
SMILES: C1COCCC1OC(OC2)CCC2OC3CCCCO3
Level: 2
Mol. Weight: 1908.05 g/mol
SMILES: O1CCCCC1OC(=C)C23C(CCCC3)C=4C(CC2)C5C(CC4)C6C(CC5)CCCC6
Level: 1
Mol. Weight: 1908.05 g/mol
SMILES: C1CCCC2C1CCC(C2=3)C4C(CC3)C5C(CC4)CC(CC5)OC6CCCCO6
Level: 1
Mol. Weight: 1908.05 g/mol
SMILES: C1OCCCC1OC2CCCCO2
Level: 1
Mol. Weight: 1908.05 g/mol
SMILES: C1COCCC1OC2CCCCO2
Level: 1
Mol. Weight: 1908.05 g/mol
SMILES: C1CCCC2C1CCC(C2=3)C4C(CC3)C5C(CC4)CCCC5
Level: 0
Mol. Weight: 1908.05 g/mol
SMILES: C1CCOCC1
Level: 0
Mol. Weight: 1908.05 g/mol
No bioactivities available.
Absorption
- Caco-2 (logPapp)
- -6.04
- Human Oral Bioavailability 20%
- Bioavailable
- Human Intestinal Absorption
- Absorbed
- Madin-Darby Canine Kidney
- 1569135820450260800000000000000000
- Human Oral Bioavailability 50%
- Non-Bioavailable
- P-Glycoprotein Inhibitor
- Non-Inhibitor
- P-Glycoprotein Substrate
- Non-Substrate
- Skin Permeability
- 205067589578274400000000000000000000
Distribution
- Blood-Brain Barrier (CNS)
- -
- Blood-Brain Barrier
- Non-Penetrable
- Fraction Unbound (Human)
- 0.21
- Plasma Protein Binding
- 89.29
- Steady State Volume of Distribution
- -
Metabolism
- Breast Cancer Resistance Protein
- Non-Inhibitor
- CYP 1A2 Inhibitor
- Non-Inhibitor
- CYP 1A2 Substrate
- Non-Substrate
- CYP 2C19 Inhibitor
- Non-Inhibitor
- CYP 2C19 Substrate
- Non-Substrate
- CYP 2C9 Inhibitor
- Non-Inhibitor
- CYP 2C9 Substrate
- Non-Substrate
- CYP 2D6 Inhibitor
- Non-Inhibitor
- CYP 2D6 Substrate
- Non-Substrate
- CYP 3A4 Inhibitor
- Non-Inhibitor
- CYP 3A4 Substrate
- Substrate
- OATP1B1
- Non-Inhibitor
- OATP1B3
- Non-Inhibitor
Excretion
- Clearance
- 2.11
- Organic Cation Transporter 2
- Non-Inhibitor
- Half-Life of Drug
- -
Toxicity
- AMES Mutagenesis
- Safe
- Avian
- Toxic
- Bee
- Safe
- Bioconcentration Factor
- -4769407390274514000000000000000000
- Biodegradation
- Toxic
- Carcinogenesis
- Safe
- Crustacean
- Toxic
- Liver Injury I (DILI)
- Safe
- Eye Corrosion
- Safe
- Eye Irritation
- Safe
- Maximum Tolerated Dose
- -1947405862888601000000000000
- Liver Injury II
- Safe
- hERG Blockers
- Toxic
- Daphnia Maga
- 4.05
- Micronucleos
- Toxic
- NR-AhR
- Safe
- NR-AR
- Safe
- NR-AR-LBD
- Toxic
- NR-Aromatase
- Safe
- NR-ER
- Safe
- NR-ER-LBD
- Safe
- NR-GR
- Safe
- NR-PPAR-gamma
- Toxic
- NR-TR
- Toxic
- T. Pyriformis
- -Infinity
- Rat (Acute)
- 300154044400909500000000
- Rat (Chronic Oral)
- 798310076858761200000000000000
- Fathead Minnow
- 469807997593503340000000000000000000
- Respiratory Disease
- Toxic
- Skin Sensitisation
- Safe
- SR-ARE
- Toxic
- SR-ATAD5
- Toxic
- SR-HSE
- Safe
- SR-MMP
- Toxic
- SR-p53
- Toxic
General Properties
- Boiling Point
- 41860807656250923000000000000000000000
- Hydration Free Energy
- -2.92
- Log(D) at pH=7.4
- -23270431583521887000000000000000
- Log(P)
- -2708952820005771400000000000
- Log S
- -1.78
- Log(Vapor Pressure)
- -1378455303322045800000000000000000000
- Melting Point
- -418863178568938740000000000000
- pKa Acid
- -10044220975838005000000000000000000
- pKa Basic
- -80805444608864540000000000000000
No predicted protein targets found for this compound.