AF29912
280772-00-1 | 1-(Methylsulfonyl)piperidine-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AF29912
ChemicalName
1-(Methylsulfonyl)piperidine-4-carboxylic acid
CasNumber
280772-00-1
MolecularFormula
C7H13NO4S
MolecularWeight
207.2474
MdlNumber
MFCD03821886
Smiles
OC(=O)C1CCN(CC1)S(=O)(=O)C
Complexity
284
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-0.5
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CatalogNumber: AF29912
ChemicalName: 1-(Methylsulfonyl)piperidine-4-carboxylic acid
CasNumber: 280772-00-1
MolecularFormula: C7H13NO4S
MolecularWeight: 207.2474
MdlNumber: MFCD03821886
Smiles: OC(=O)C1CCN(CC1)S(=O)(=O)C
Complexity: 284
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.5
CatalogNumber:
AF29912
ChemicalName:
1-(Methylsulfonyl)piperidine-4-carboxylic acid
CasNumber:
280772-00-1
MolecularFormula:
C7H13NO4S
MolecularWeight:
207.2474
MdlNumber:
MFCD03821886
Smiles:
OC(=O)C1CCN(CC1)S(=O)(=O)C
Complexity:
284
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.5
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Smiles: Nc1ccc2c(c1)nn(n2)c1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Nc1ccc2c(c1)nn(n2)c1ccccc1
Complexity:
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Smiles: Nc1cccc(c1)NC(=O)c1ccco1
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Smiles:
Nc1cccc(c1)NC(=O)c1ccco1
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=Cc1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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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:
O=Cc1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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