AB03205
183622-35-7 | 2-Nitro-5-piperazin-1-yl-benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB03205
ChemicalName
2-Nitro-5-piperazin-1-yl-benzoic acid
CasNumber
183622-35-7
MolecularFormula
C11H13N3O4
MolecularWeight
251.2386
MdlNumber
MFCD09991733
Smiles
OC(=O)c1cc(ccc1[N+](=O)[O-])N1CCNCC1
Complexity
325
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-1.3
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CatalogNumber: AB03205
ChemicalName: 2-Nitro-5-piperazin-1-yl-benzoic acid
CasNumber: 183622-35-7
MolecularFormula: C11H13N3O4
MolecularWeight: 251.2386
MdlNumber: MFCD09991733
Smiles: OC(=O)c1cc(ccc1[N+](=O)[O-])N1CCNCC1
Complexity: 325
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -1.3
CatalogNumber:
AB03205
ChemicalName:
2-Nitro-5-piperazin-1-yl-benzoic acid
CasNumber:
183622-35-7
MolecularFormula:
C11H13N3O4
MolecularWeight:
251.2386
MdlNumber:
MFCD09991733
Smiles:
OC(=O)c1cc(ccc1[N+](=O)[O-])N1CCNCC1
Complexity:
325
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)c1cnc2c(c1)scc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CC(=O)c1cnc2c(c1)scc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(N1CC1c1ccccc1)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(N1CC1c1ccccc1)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(OP(=O)(O)O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(OP(=O)(O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__