AI51330
503859-41-4 | 4-(4-Cyanophenyl)-3-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI51330
ChemicalName
4-(4-Cyanophenyl)-3-methylbenzoic acid
CasNumber
503859-41-4
MolecularFormula
C15H11NO2
MolecularWeight
237.2533
MdlNumber
MFCD18319142
Smiles
N#Cc1ccc(cc1)c1ccc(cc1C)C(=O)O
Complexity
349
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.2
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CatalogNumber: AI51330
ChemicalName: 4-(4-Cyanophenyl)-3-methylbenzoic acid
CasNumber: 503859-41-4
MolecularFormula: C15H11NO2
MolecularWeight: 237.2533
MdlNumber: MFCD18319142
Smiles: N#Cc1ccc(cc1)c1ccc(cc1C)C(=O)O
Complexity: 349
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.2
CatalogNumber:
AI51330
ChemicalName:
4-(4-Cyanophenyl)-3-methylbenzoic acid
CasNumber:
503859-41-4
MolecularFormula:
C15H11NO2
MolecularWeight:
237.2533
MdlNumber:
MFCD18319142
Smiles:
N#Cc1ccc(cc1)c1ccc(cc1C)C(=O)O
Complexity:
349
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.2
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Smiles: Cn1c(S)nc(cc1=O)c1ccncn1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Cn1c(S)nc(cc1=O)c1ccncn1
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Cn1c(Cl)nc(cc1=O)c1ccncn1
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Smiles:
Cn1c(Cl)nc(cc1=O)c1ccncn1
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: Clc1nccc2c1CCCC2
Complexity: __
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HydrogenBondDonorCount: __
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Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Clc1nccc2c1CCCC2
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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