AC81501
68765-52-6 | 3-Amino-4-(phenylamino)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AC81501
ChemicalName
3-Amino-4-(phenylamino)benzonitrile
CasNumber
68765-52-6
MolecularFormula
C13H11N3
MolecularWeight
209.2465
MdlNumber
MFCD02376089
Smiles
N#Cc1ccc(c(c1)N)Nc1ccccc1
Complexity
262
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AC81501
ChemicalName: 3-Amino-4-(phenylamino)benzonitrile
CasNumber: 68765-52-6
MolecularFormula: C13H11N3
MolecularWeight: 209.2465
MdlNumber: MFCD02376089
Smiles: N#Cc1ccc(c(c1)N)Nc1ccccc1
Complexity: 262
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AC81501
ChemicalName:
3-Amino-4-(phenylamino)benzonitrile
CasNumber:
68765-52-6
MolecularFormula:
C13H11N3
MolecularWeight:
209.2465
MdlNumber:
MFCD02376089
Smiles:
N#Cc1ccc(c(c1)N)Nc1ccccc1
Complexity:
262
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.5
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Smiles: N#CCC(=O)Nc1ccc(cc1)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
N#CCC(=O)Nc1ccc(cc1)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: O[C@@H]1CN([C@@H](C1)C(=O)O)C
Complexity: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O[C@@H]1CN([C@@H](C1)C(=O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
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Smiles: COc1cc([N+](=O)[O-])c(cc1CC(N)C)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc([N+](=O)[O-])c(cc1CC(N)C)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__