AI48552
349098-70-0 | (1-[(4-Methylbenzene)sulfonyl]piperidin-3-yl)methanol
Manufacturer: A2B Chem
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CatalogNumber
AI48552
ChemicalName
(1-[(4-Methylbenzene)sulfonyl]piperidin-3-yl)methanol
CasNumber
349098-70-0
MolecularFormula
C13H19NO3S
MolecularWeight
269.3599
MdlNumber
MFCD01185758
Smiles
OCC1CCCN(C1)S(=O)(=O)c1ccc(cc1)C
Complexity
355
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.5
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CatalogNumber: AI48552
ChemicalName: (1-[(4-Methylbenzene)sulfonyl]piperidin-3-yl)methanol
CasNumber: 349098-70-0
MolecularFormula: C13H19NO3S
MolecularWeight: 269.3599
MdlNumber: MFCD01185758
Smiles: OCC1CCCN(C1)S(=O)(=O)c1ccc(cc1)C
Complexity: 355
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.5
CatalogNumber:
AI48552
ChemicalName:
(1-[(4-Methylbenzene)sulfonyl]piperidin-3-yl)methanol
CasNumber:
349098-70-0
MolecularFormula:
C13H19NO3S
MolecularWeight:
269.3599
MdlNumber:
MFCD01185758
Smiles:
OCC1CCCN(C1)S(=O)(=O)c1ccc(cc1)C
Complexity:
355
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.5
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Smiles: Clc1ccc(c(c1)NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])Cl
Complexity: __
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Smiles:
Clc1ccc(c(c1)NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])Cl
Complexity:
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Smiles: [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1Cl)Cl
Complexity: __
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Smiles:
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cccc(c1NS(=O)(=O)c1ccccc1[N+](=O)[O-])C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cccc(c1NS(=O)(=O)c1ccccc1[N+](=O)[O-])C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__