AB37760
294648-03-6 | 4-(Pyridin-3-yl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB37760
ChemicalName
4-(Pyridin-3-yl)benzonitrile
CasNumber
294648-03-6
MolecularFormula
C12H8N2
MolecularWeight
180.2053
MdlNumber
MFCD04116307
Smiles
N#Cc1ccc(cc1)c1cccnc1
Complexity
220
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
2.2
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CatalogNumber: AB37760
ChemicalName: 4-(Pyridin-3-yl)benzonitrile
CasNumber: 294648-03-6
MolecularFormula: C12H8N2
MolecularWeight: 180.2053
MdlNumber: MFCD04116307
Smiles: N#Cc1ccc(cc1)c1cccnc1
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AB37760
ChemicalName:
4-(Pyridin-3-yl)benzonitrile
CasNumber:
294648-03-6
MolecularFormula:
C12H8N2
MolecularWeight:
180.2053
MdlNumber:
MFCD04116307
Smiles:
N#Cc1ccc(cc1)c1cccnc1
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.2
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Smiles: NCc1ccc(cc1)c1ccccn1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
NCc1ccc(cc1)c1ccccn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CC[C@@H](Nc1nc(NCc2ccc(cc2)c2ccccn2)c2c(n1)n(cn2)C(C)C)CO
Complexity: __
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Smiles:
CC[C@@H](Nc1nc(NCc2ccc(cc2)c2ccccn2)c2c(n1)n(cn2)C(C)C)CO
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: N#CCNC(=O)C1(CCCCC1)NC(=O)c1ccc(cc1)c1csc(n1)N1CCN(CC1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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__
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
N#CCNC(=O)C1(CCCCC1)NC(=O)c1ccc(cc1)c1csc(n1)N1CCN(CC1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__