AI62850
94084-75-0 | 4-(1H-Imidazol-1-ylmethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI62850
ChemicalName
4-(1H-Imidazol-1-ylmethyl)benzoic acid
CasNumber
94084-75-0
MolecularFormula
C11H10N2O2
MolecularWeight
202.2093
MdlNumber
MFCD09736739
Smiles
C1=CC(=CC=C1CN2C=CN=C2)C(=O)O
Complexity
225
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.1
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CatalogNumber: AI62850
ChemicalName: 4-(1H-Imidazol-1-ylmethyl)benzoic acid
CasNumber: 94084-75-0
MolecularFormula: C11H10N2O2
MolecularWeight: 202.2093
MdlNumber: MFCD09736739
Smiles: C1=CC(=CC=C1CN2C=CN=C2)C(=O)O
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.1
CatalogNumber:
AI62850
ChemicalName:
4-(1H-Imidazol-1-ylmethyl)benzoic acid
CasNumber:
94084-75-0
MolecularFormula:
C11H10N2O2
MolecularWeight:
202.2093
MdlNumber:
MFCD09736739
Smiles:
C1=CC(=CC=C1CN2C=CN=C2)C(=O)O
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.1
CatalogNumber: __
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Smiles: COc1cccc(c1)CCNc1ccc(cc1)Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1cccc(c1)CCNc1ccc(cc1)Cl.Cl
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: FC(/C=C/Sc1ccc(cc1)C)(F)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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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:
FC(/C=C/Sc1ccc(cc1)C)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: Ic1ccc(cc1N)OC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
Ic1ccc(cc1N)OC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__