AI32243
1356470-08-0 | 1-Benzenesulfonyl-1H-indole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI32243
ChemicalName
1-Benzenesulfonyl-1H-indole-4-carboxylic acid
CasNumber
1356470-08-0
MolecularFormula
C15H11NO4S
MolecularWeight
301.3171
MdlNumber
MFCD28404846
Smiles
OC(=O)c1cccc2c1ccn2S(=O)(=O)c1ccccc1
Complexity
492
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.8
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CatalogNumber: AI32243
ChemicalName: 1-Benzenesulfonyl-1H-indole-4-carboxylic acid
CasNumber: 1356470-08-0
MolecularFormula: C15H11NO4S
MolecularWeight: 301.3171
MdlNumber: MFCD28404846
Smiles: OC(=O)c1cccc2c1ccn2S(=O)(=O)c1ccccc1
Complexity: 492
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AI32243
ChemicalName:
1-Benzenesulfonyl-1H-indole-4-carboxylic acid
CasNumber:
1356470-08-0
MolecularFormula:
C15H11NO4S
MolecularWeight:
301.3171
MdlNumber:
MFCD28404846
Smiles:
OC(=O)c1cccc2c1ccn2S(=O)(=O)c1ccccc1
Complexity:
492
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.8
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MolecularFormula: __
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Smiles: O=C(N1CCC2(CC1)CC(=C)C2)OC(C)(C)C
Complexity: __
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Smiles:
O=C(N1CCC2(CC1)CC(=C)C2)OC(C)(C)C
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: Brc1cncc(c1)C(C(F)(F)F)(O)C
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Smiles:
Brc1cncc(c1)C(C(F)(F)F)(O)C
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: FC(S(=O)(=O)[O-])(F)F.FC(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(S(=O)(=O)[O-])(F)F.FC(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__