AI14699
1225506-25-1 | 3-(4-Methylphenyl)picolinic acid
Manufacturer: A2B Chem
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CatalogNumber
AI14699
ChemicalName
3-(4-Methylphenyl)picolinic acid
CasNumber
1225506-25-1
MolecularFormula
C13H11NO2
MolecularWeight
213.2319
MdlNumber
MFCD16308586
Smiles
Cc1ccc(cc1)c1cccnc1C(=O)O
Complexity
246
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AI14699
ChemicalName: 3-(4-Methylphenyl)picolinic acid
CasNumber: 1225506-25-1
MolecularFormula: C13H11NO2
MolecularWeight: 213.2319
MdlNumber: MFCD16308586
Smiles: Cc1ccc(cc1)c1cccnc1C(=O)O
Complexity: 246
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AI14699
ChemicalName:
3-(4-Methylphenyl)picolinic acid
CasNumber:
1225506-25-1
MolecularFormula:
C13H11NO2
MolecularWeight:
213.2319
MdlNumber:
MFCD16308586
Smiles:
Cc1ccc(cc1)c1cccnc1C(=O)O
Complexity:
246
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.7
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Smiles: CCC1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCC1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O
Complexity:
__
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__
HeavyAtomCount:
__
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RotatableBondCount:
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Xlogp3:
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Smiles: OC(=O)c1ccnc(c1)c1ccc(c(c1)F)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
OC(=O)c1ccnc(c1)c1ccc(c(c1)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: Clc1cccc(c1)c1cccnc1C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cccc(c1)c1cccnc1C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__