AI37357
154650-76-7 | 5-Cyano-1-benzothiophene-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI37357
ChemicalName
5-Cyano-1-benzothiophene-2-carboxylic acid
CasNumber
154650-76-7
MolecularFormula
C10H5NO2S
MolecularWeight
203.2172
MdlNumber
MFCD13180891
Smiles
N#Cc1ccc2c(c1)cc(s2)C(=O)O
Complexity
296
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.5
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CatalogNumber: AI37357
ChemicalName: 5-Cyano-1-benzothiophene-2-carboxylic acid
CasNumber: 154650-76-7
MolecularFormula: C10H5NO2S
MolecularWeight: 203.2172
MdlNumber: MFCD13180891
Smiles: N#Cc1ccc2c(c1)cc(s2)C(=O)O
Complexity: 296
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AI37357
ChemicalName:
5-Cyano-1-benzothiophene-2-carboxylic acid
CasNumber:
154650-76-7
MolecularFormula:
C10H5NO2S
MolecularWeight:
203.2172
MdlNumber:
MFCD13180891
Smiles:
N#Cc1ccc2c(c1)cc(s2)C(=O)O
Complexity:
296
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: NC1CNC(=O)C21CCC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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Smiles:
NC1CNC(=O)C21CCC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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ChemicalName: __
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MolecularFormula: __
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Smiles: Nc1ncc2c(n1)[nH]cc2C(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
Nc1ncc2c(n1)[nH]cc2C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: O=C(OC(C)(C)C)NCCCC(=O)N(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)NCCCC(=O)N(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__