AF60095
313516-66-4 | 2-Chloro-5-nitro-N-4-pyridinylbenzamide
Manufacturer: A2B Chem
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CatalogNumber
AF60095
ChemicalName
2-Chloro-5-nitro-N-4-pyridinylbenzamide
CasNumber
313516-66-4
MolecularFormula
C12H8ClN3O3
MolecularWeight
277.6632
MdlNumber
MFCD00121849
Smiles
Clc1ccc(cc1C(=O)Nc1ccncc1)[N+](=O)[O-]
Complexity
342
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AF60095
ChemicalName: 2-Chloro-5-nitro-N-4-pyridinylbenzamide
CasNumber: 313516-66-4
MolecularFormula: C12H8ClN3O3
MolecularWeight: 277.6632
MdlNumber: MFCD00121849
Smiles: Clc1ccc(cc1C(=O)Nc1ccncc1)[N+](=O)[O-]
Complexity: 342
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AF60095
ChemicalName:
2-Chloro-5-nitro-N-4-pyridinylbenzamide
CasNumber:
313516-66-4
MolecularFormula:
C12H8ClN3O3
MolecularWeight:
277.6632
MdlNumber:
MFCD00121849
Smiles:
Clc1ccc(cc1C(=O)Nc1ccncc1)[N+](=O)[O-]
Complexity:
342
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.3
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Smiles: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1
Complexity: __
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Xlogp3: __
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Smiles:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: OC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)CN1CCNCC1
Complexity: __
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HeavyAtomCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
OC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)CN1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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MolecularWeight: __
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Smiles: CSCCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CCC(=O)O)CC(C)C)C)C)CC(C)C)CS)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)CCC)CO)CC(C)C)CC(=O)O)CC(C)C)CCC(=O)O)C)CC(=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CSCCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CCC(=O)O)CC(C)C)C)C)CC(C)C)CS)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)CCC)CO)CC(C)C)CC(=O)O)CC(C)C)CCC(=O)O)C)CC(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__