Molecule

ID:107124

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClNO₂
Molecular Mass
247.677
Exact Mass
247.04000625
Charge
0
InChI
InChI=1S/C13H10ClNO2/c14-9-6-7-12(16)11(8-9)13(17)15-10-4-2-1-3-5-10/h1-8,16H,(H,15,17)
InChIKey
KGYNGVVNFRUOOZ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C(=O)Nc1ccccc1)O
Isomeric Smiles
Oc1ccc(Cl)cc1C(=O)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
7.393004
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.3601322
LogD (pH = 7.4)
3.0644786
Log P
3.36561
Molar Refractivity
68.3772
Polarizability
25.408566
Polar Surface Area
49.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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