AI51754
52374-26-2 | N-Cyclohexyl-4-nitrobenzenesulfonamide
Manufacturer: A2B Chem
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CatalogNumber
AI51754
ChemicalName
N-Cyclohexyl-4-nitrobenzenesulfonamide
CasNumber
52374-26-2
MolecularFormula
C12H16N2O4S
MolecularWeight
284.3314
MdlNumber
MFCD00436903
Smiles
O=S(=O)(c1ccc(cc1)[N+](=O)[O-])NC1CCCCC1
Complexity
398
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AI51754
ChemicalName: N-Cyclohexyl-4-nitrobenzenesulfonamide
CasNumber: 52374-26-2
MolecularFormula: C12H16N2O4S
MolecularWeight: 284.3314
MdlNumber: MFCD00436903
Smiles: O=S(=O)(c1ccc(cc1)[N+](=O)[O-])NC1CCCCC1
Complexity: 398
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AI51754
ChemicalName:
N-Cyclohexyl-4-nitrobenzenesulfonamide
CasNumber:
52374-26-2
MolecularFormula:
C12H16N2O4S
MolecularWeight:
284.3314
MdlNumber:
MFCD00436903
Smiles:
O=S(=O)(c1ccc(cc1)[N+](=O)[O-])NC1CCCCC1
Complexity:
398
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: AI51755
ChemicalName: 4'-Nitroacetophenone semicarbazone
CasNumber: 52376-81-5
MolecularFormula: C9H10N4O3
MolecularWeight: 222.2007
MdlNumber: MFCD03948445
Smiles: NC(=O)N/N=C(/c1ccc(cc1)[N+](=O)[O-])C
Complexity: 302
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AI51755
ChemicalName:
4'-Nitroacetophenone semicarbazone
CasNumber:
52376-81-5
MolecularFormula:
C9H10N4O3
MolecularWeight:
222.2007
MdlNumber:
MFCD03948445
Smiles:
NC(=O)N/N=C(/c1ccc(cc1)[N+](=O)[O-])C
Complexity:
302
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.7
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Smiles: COc1ccc(cc1F)CN1CCNCC1
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Smiles: Ic1ccc(cc1)CN1CCNCC1
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Smiles:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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