AB05046
203937-50-2 | 4-Methoxyindole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB05046
ChemicalName
4-Methoxyindole-3-carboxylic acid
CasNumber
203937-50-2
MolecularFormula
C10H9NO3
MolecularWeight
191.1834
MdlNumber
MFCD05664011
Smiles
COc1cccc2c1c(c[nH]2)C(=O)O
Complexity
231
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.5
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CatalogNumber: AB05046
ChemicalName: 4-Methoxyindole-3-carboxylic acid
CasNumber: 203937-50-2
MolecularFormula: C10H9NO3
MolecularWeight: 191.1834
MdlNumber: MFCD05664011
Smiles: COc1cccc2c1c(c[nH]2)C(=O)O
Complexity: 231
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AB05046
ChemicalName:
4-Methoxyindole-3-carboxylic acid
CasNumber:
203937-50-2
MolecularFormula:
C10H9NO3
MolecularWeight:
191.1834
MdlNumber:
MFCD05664011
Smiles:
COc1cccc2c1c(c[nH]2)C(=O)O
Complexity:
231
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.5
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Smiles: CCOC(=O)C1NCC2(C1)CCN(CC2)C(=O)OC(C)(C)C
Complexity: __
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Smiles:
CCOC(=O)C1NCC2(C1)CCN(CC2)C(=O)OC(C)(C)C
Complexity:
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Smiles: O=C(N1CCC(=CN2CCCC2)CC1)OC(C)(C)C
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Smiles:
O=C(N1CCC(=CN2CCCC2)CC1)OC(C)(C)C
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Smiles: CCCCCCC1(CCCCCC)c2cc(ccc2-c2c1cc(cc2)B(O)O)B(O)O
Complexity: __
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Smiles:
CCCCCCC1(CCCCCC)c2cc(ccc2-c2c1cc(cc2)B(O)O)B(O)O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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