AI52940
577752-97-7 | Methyl 4-(piperidine-1-sulfonyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AI52940
ChemicalName
Methyl 4-(piperidine-1-sulfonyl)benzoate
CasNumber
577752-97-7
MolecularFormula
C13H17NO4S
MolecularWeight
283.3434
MdlNumber
MFCD01107475
Smiles
COC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
Complexity
401
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
RotatableBondCount
4
Xlogp3
1.8
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CatalogNumber: AI52940
ChemicalName: Methyl 4-(piperidine-1-sulfonyl)benzoate
CasNumber: 577752-97-7
MolecularFormula: C13H17NO4S
MolecularWeight: 283.3434
MdlNumber: MFCD01107475
Smiles: COC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
Complexity: 401
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 1.8
CatalogNumber:
AI52940
ChemicalName:
Methyl 4-(piperidine-1-sulfonyl)benzoate
CasNumber:
577752-97-7
MolecularFormula:
C13H17NO4S
MolecularWeight:
283.3434
MdlNumber:
MFCD01107475
Smiles:
COC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
Complexity:
401
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
1.8
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Smiles: OC(=O)c1cc(c[nH]c1=O)c1ccc(cc1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
OC(=O)c1cc(c[nH]c1=O)c1ccc(cc1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
__
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Smiles: O=c1ccc(c[nH]1)c1ccc(cc1)C(F)(F)F
Complexity: __
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HydrogenBondAcceptorCount: __
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MolecularFormula:
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Smiles:
O=c1ccc(c[nH]1)c1ccc(cc1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: [O-]C(=O)c1ccccc1O.[K+]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)c1ccccc1O.[K+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__