AF35060
286472-02-4 | 2-[(2-Carboxyethyl)sulfanyl]nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AF35060
ChemicalName
2-[(2-Carboxyethyl)sulfanyl]nicotinic acid
CasNumber
286472-02-4
MolecularFormula
C9H9NO4S
MolecularWeight
227.23705999999999
MdlNumber
MFCD02250406
Smiles
OC(=O)CCSc1ncccc1C(=O)O
Complexity
246
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
0.7
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CatalogNumber: AF35060
ChemicalName: 2-[(2-Carboxyethyl)sulfanyl]nicotinic acid
CasNumber: 286472-02-4
MolecularFormula: C9H9NO4S
MolecularWeight: 227.23705999999999
MdlNumber: MFCD02250406
Smiles: OC(=O)CCSc1ncccc1C(=O)O
Complexity: 246
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 0.7
CatalogNumber:
AF35060
ChemicalName:
2-[(2-Carboxyethyl)sulfanyl]nicotinic acid
CasNumber:
286472-02-4
MolecularFormula:
C9H9NO4S
MolecularWeight:
227.23705999999999
MdlNumber:
MFCD02250406
Smiles:
OC(=O)CCSc1ncccc1C(=O)O
Complexity:
246
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CC(=Cc1ccc(cc1)Br)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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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:
N#CC(=Cc1ccc(cc1)Br)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1sc(nc1C(C)(C)C)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
N#Cc1sc(nc1C(C)(C)C)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: NNc1nc2ccccc2nc1Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NNc1nc2ccccc2nc1Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__