AG17533
5134-62-3 | 1-(Toluene-4-sulfonyl)-piperidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG17533
ChemicalName
1-(Toluene-4-sulfonyl)-piperidine-3-carboxylic acid
CasNumber
5134-62-3
MolecularFormula
C13H17NO4S
MolecularWeight
283.3434
MdlNumber
MFCD00724055
Smiles
OC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)C
Complexity
420
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.5
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CatalogNumber: AG17533
ChemicalName: 1-(Toluene-4-sulfonyl)-piperidine-3-carboxylic acid
CasNumber: 5134-62-3
MolecularFormula: C13H17NO4S
MolecularWeight: 283.3434
MdlNumber: MFCD00724055
Smiles: OC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)C
Complexity: 420
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.5
CatalogNumber:
AG17533
ChemicalName:
1-(Toluene-4-sulfonyl)-piperidine-3-carboxylic acid
CasNumber:
5134-62-3
MolecularFormula:
C13H17NO4S
MolecularWeight:
283.3434
MdlNumber:
MFCD00724055
Smiles:
OC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)C
Complexity:
420
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.5
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Smiles: O=Cc1c(Cl)nc(nc1N1CCCCC1)SC
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O=Cc1c(Cl)nc(nc1N1CCCCC1)SC
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Smiles: COc1ccccc1C1CC(=O)CC(=O)C1
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Smiles:
COc1ccccc1C1CC(=O)CC(=O)C1
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Smiles: OC(=O)c1ccc(o1)c1cccc(c1Cl)Cl
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(o1)c1cccc(c1Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__