AF62475
223786-53-6 | 1-(4-Nitrophenyl)piperidine-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AF62475
ChemicalName
1-(4-Nitrophenyl)piperidine-4-carboxylic acid
CasNumber
223786-53-6
MolecularFormula
C12H14N2O4
MolecularWeight
250.2506
MdlNumber
MFCD00664471
Smiles
OC(=O)C1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
Complexity
313
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AF62475
ChemicalName: 1-(4-Nitrophenyl)piperidine-4-carboxylic acid
CasNumber: 223786-53-6
MolecularFormula: C12H14N2O4
MolecularWeight: 250.2506
MdlNumber: MFCD00664471
Smiles: OC(=O)C1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
Complexity: 313
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AF62475
ChemicalName:
1-(4-Nitrophenyl)piperidine-4-carboxylic acid
CasNumber:
223786-53-6
MolecularFormula:
C12H14N2O4
MolecularWeight:
250.2506
MdlNumber:
MFCD00664471
Smiles:
OC(=O)C1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
Complexity:
313
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
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Smiles: CCC(c1nnc(s1)N)CC
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCC(c1nnc(s1)N)CC
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RotatableBondCount:
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Smiles: CC(c1cccc(c1N=[Mo]=CC(c1ccccc1)(C)C)C(C)C)C.Cc1cc(c(c(c1C)c1c(C)c(C)cc(c1O)C(C)(C)C)O)C(C)(C)C
Complexity: __
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Smiles:
CC(c1cccc(c1N=[Mo]=CC(c1ccccc1)(C)C)C(C)C)C.Cc1cc(c(c(c1C)c1c(C)c(C)cc(c1O)C(C)(C)C)O)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: Cn1nc([nH]c1=O)Br
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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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:
Cn1nc([nH]c1=O)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__