AI10745
116450-83-0 | 4-((6-Nitro-1H-indol-1-yl)methyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI10745
ChemicalName
4-((6-Nitro-1H-indol-1-yl)methyl)benzonitrile
CasNumber
116450-83-0
MolecularFormula
C16H11N3O2
MolecularWeight
277.2774
MdlNumber
MFCD28991856
Smiles
N#Cc1ccc(cc1)Cn1ccc2c1cc(cc2)[N+](=O)[O-]
Complexity
431
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
3.1
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CatalogNumber: AI10745
ChemicalName: 4-((6-Nitro-1H-indol-1-yl)methyl)benzonitrile
CasNumber: 116450-83-0
MolecularFormula: C16H11N3O2
MolecularWeight: 277.2774
MdlNumber: MFCD28991856
Smiles: N#Cc1ccc(cc1)Cn1ccc2c1cc(cc2)[N+](=O)[O-]
Complexity: 431
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AI10745
ChemicalName:
4-((6-Nitro-1H-indol-1-yl)methyl)benzonitrile
CasNumber:
116450-83-0
MolecularFormula:
C16H11N3O2
MolecularWeight:
277.2774
MdlNumber:
MFCD28991856
Smiles:
N#Cc1ccc(cc1)Cn1ccc2c1cc(cc2)[N+](=O)[O-]
Complexity:
431
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CCOC(=O)c1[nH]c2c(c1/N=C/N(C)C)cc(cc2)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
CCOC(=O)c1[nH]c2c(c1/N=C/N(C)C)cc(cc2)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CN(/C=C1/C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C)C
Complexity: __
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HeavyAtomCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CN(/C=C1/C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: O=C(Nc1ccccc1c1ccccc1)/C=C/C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(Nc1ccccc1c1ccccc1)/C=C/C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__