AI61329
91558-67-7 | 1-[(4-Methyl-3-nitrobenzene)sulfonyl]piperidine
Manufacturer: A2B Chem
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CatalogNumber
AI61329
ChemicalName
1-[(4-Methyl-3-nitrobenzene)sulfonyl]piperidine
CasNumber
91558-67-7
MolecularFormula
C12H16N2O4S
MolecularWeight
284.3314
MdlNumber
MFCD00577549
Smiles
[O-][N+](=O)c1cc(ccc1C)S(=O)(=O)N1CCCCC1
Complexity
420
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AI61329
ChemicalName: 1-[(4-Methyl-3-nitrobenzene)sulfonyl]piperidine
CasNumber: 91558-67-7
MolecularFormula: C12H16N2O4S
MolecularWeight: 284.3314
MdlNumber: MFCD00577549
Smiles: [O-][N+](=O)c1cc(ccc1C)S(=O)(=O)N1CCCCC1
Complexity: 420
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AI61329
ChemicalName:
1-[(4-Methyl-3-nitrobenzene)sulfonyl]piperidine
CasNumber:
91558-67-7
MolecularFormula:
C12H16N2O4S
MolecularWeight:
284.3314
MdlNumber:
MFCD00577549
Smiles:
[O-][N+](=O)c1cc(ccc1C)S(=O)(=O)N1CCCCC1
Complexity:
420
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
2.1
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Smiles: CN1CCCC(C1=O)C(=O)c1ccncc1
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Smiles:
CN1CCCC(C1=O)C(=O)c1ccncc1
Complexity:
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Smiles: CC1=C(C(=O)C2=CC=CC=C2N1)C(=O)C
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CC1=C(C(=O)C2=CC=CC=C2N1)C(=O)C
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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Smiles: Cc1ccc(cc1)c1noc(c1C(=O)O)C
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HeavyAtomCount: __
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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:
Cc1ccc(cc1)c1noc(c1C(=O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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