AI39059
17229-00-4 | 2-(3-Methylphenyl)-1,3-thiazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI39059
ChemicalName
2-(3-Methylphenyl)-1,3-thiazole-4-carboxylic acid
CasNumber
17229-00-4
MolecularFormula
C11H9NO2S
MolecularWeight
219.2597
MdlNumber
MFCD07376373
Smiles
Cc1cccc(c1)c1scc(n1)C(=O)O
Complexity
247
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AI39059
ChemicalName: 2-(3-Methylphenyl)-1,3-thiazole-4-carboxylic acid
CasNumber: 17229-00-4
MolecularFormula: C11H9NO2S
MolecularWeight: 219.2597
MdlNumber: MFCD07376373
Smiles: Cc1cccc(c1)c1scc(n1)C(=O)O
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AI39059
ChemicalName:
2-(3-Methylphenyl)-1,3-thiazole-4-carboxylic acid
CasNumber:
17229-00-4
MolecularFormula:
C11H9NO2S
MolecularWeight:
219.2597
MdlNumber:
MFCD07376373
Smiles:
Cc1cccc(c1)c1scc(n1)C(=O)O
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.8
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Smiles: NCCc1cccc(c1)C#N.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
NCCc1cccc(c1)C#N.Cl
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: OCc1ccc(s1)C#N
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HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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MolecularFormula:
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Smiles:
OCc1ccc(s1)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: OCc1ccc(cc1)N(C(=O)OC(C)(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1ccc(cc1)N(C(=O)OC(C)(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__