AH13452
70000-59-8 | N-[(4-Nitrophenyl)methyl]cyclopentanamine
Manufacturer: A2B Chem
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CatalogNumber
AH13452
ChemicalName
N-[(4-Nitrophenyl)methyl]cyclopentanamine
CasNumber
70000-59-8
MolecularFormula
C12H16N2O2
MolecularWeight
220.2676
MdlNumber
MFCD01134972
Smiles
[O-][N+](=O)c1ccc(cc1)CNC1CCCC1
Complexity
226
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.4
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CatalogNumber: AH13452
ChemicalName: N-[(4-Nitrophenyl)methyl]cyclopentanamine
CasNumber: 70000-59-8
MolecularFormula: C12H16N2O2
MolecularWeight: 220.2676
MdlNumber: MFCD01134972
Smiles: [O-][N+](=O)c1ccc(cc1)CNC1CCCC1
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AH13452
ChemicalName:
N-[(4-Nitrophenyl)methyl]cyclopentanamine
CasNumber:
70000-59-8
MolecularFormula:
C12H16N2O2
MolecularWeight:
220.2676
MdlNumber:
MFCD01134972
Smiles:
[O-][N+](=O)c1ccc(cc1)CNC1CCCC1
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.4
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Smiles: CCS(=O)(=O)N1CCC(CC1)C(=O)O
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Smiles:
CCS(=O)(=O)N1CCC(CC1)C(=O)O
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Smiles: CCN(c1ccc(cc1)c1nnc(n1CC)S)CC
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CCN(c1ccc(cc1)c1nnc(n1CC)S)CC
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Smiles: C=CCn1c(S)nnc1c1ccc(c(c1)Cl)Cl
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HydrogenBondDonorCount: __
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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:
C=CCn1c(S)nnc1c1ccc(c(c1)Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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