AD68296
1670-83-3 | Indole-7-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD68296
ChemicalName
Indole-7-carboxylic acid
CasNumber
1670-83-3
MolecularFormula
C9H7NO2
MolecularWeight
161.1574
MdlNumber
MFCD00210442
Smiles
OC(=O)c1cccc2c1[nH]cc2
Complexity
193
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
2.3
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CatalogNumber: AD68296
ChemicalName: Indole-7-carboxylic acid
CasNumber: 1670-83-3
MolecularFormula: C9H7NO2
MolecularWeight: 161.1574
MdlNumber: MFCD00210442
Smiles: OC(=O)c1cccc2c1[nH]cc2
Complexity: 193
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AD68296
ChemicalName:
Indole-7-carboxylic acid
CasNumber:
1670-83-3
MolecularFormula:
C9H7NO2
MolecularWeight:
161.1574
MdlNumber:
MFCD00210442
Smiles:
OC(=O)c1cccc2c1[nH]cc2
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2C(OC(=O)c2ccccc2)[C@]2(O)CC(OC(=O)C([C@H](c3ccccc3)NC(=O)OC(C)(C)C)O)C(=C(C2(C)C)C(=O)C1=O)C)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2C(OC(=O)c2ccccc2)[C@]2(O)CC(OC(=O)C([C@H](c3ccccc3)NC(=O)OC(C)(C)C)O)C(=C(C2(C)C)C(=O)C1=O)C)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCc1cn(c2c1cccc2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCc1cn(c2c1cccc2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@H](C(=O)O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2c2c1cccc2
Complexity: 856
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 8.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@H](C(=O)O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2c2c1cccc2
Complexity:
856
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
8.4