AG71286
58327-75-6 | 3-Aminothieno[2,3-b]pyridine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG71286
ChemicalName
3-Aminothieno[2,3-b]pyridine-2-carboxylic acid
CasNumber
58327-75-6
MolecularFormula
C8H6N2O2S
MolecularWeight
194.2104
MdlNumber
MFCD03783349
Smiles
OC(=O)c1sc2c(c1N)cccn2
NscNumber
284503
Complexity
224
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.9
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CatalogNumber: AG71286
ChemicalName: 3-Aminothieno[2,3-b]pyridine-2-carboxylic acid
CasNumber: 58327-75-6
MolecularFormula: C8H6N2O2S
MolecularWeight: 194.2104
MdlNumber: MFCD03783349
Smiles: OC(=O)c1sc2c(c1N)cccn2
NscNumber: 284503
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AG71286
ChemicalName:
3-Aminothieno[2,3-b]pyridine-2-carboxylic acid
CasNumber:
58327-75-6
MolecularFormula:
C8H6N2O2S
MolecularWeight:
194.2104
MdlNumber:
MFCD03783349
Smiles:
OC(=O)c1sc2c(c1N)cccn2
NscNumber:
284503
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.9
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Smiles: CCCN[C@@H]1CCCC[C@H]1O
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Smiles:
CCCN[C@@H]1CCCC[C@H]1O
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Smiles: S=C=NCCCCc1ccccc1
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S=C=NCCCCc1ccccc1
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Smiles: Oc1c(/N=N/c2ccc(c3c2cccc3)S(=O)(=O)[O-])c2c(cc1S(=O)(=O)[O-])cc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1c(/N=N/c2ccc(c3c2cccc3)S(=O)(=O)[O-])c2c(cc1S(=O)(=O)[O-])cc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__