Molecule

ID:70576

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉ClO₂
Molecular Mass
232.66236
Exact Mass
232.02910721
Charge
0
InChI
InChI=1S/C13H9ClO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,15H
InChIKey
RUETVLNXAGWCDS-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl
Isomeric Smiles
C(=O)(c1ccc(cc1)O)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
7.846643
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.7311404
LogD (pH = 7.4)
3.601333
Log P
3.7330782
Molar Refractivity
63.4192
Polarizability
24.444246
Polar Surface Area
37.3
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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