Molecule

ID:106908

General Information
Structure
Molecular Formula
C₁₄H₉ClO₂
Molecular Mass
244.67306
Exact Mass
244.02910721
Charge
0
InChI
InChI=1S/C14H9ClO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7,9-10H
InChIKey
MPEVIGLDALDDOV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)C(=O)C1C(C2=O)C=CC=C1
Isomeric Smiles
Clc1ccc2C(=O)C3C=CC=CC3C(=O)c2c1
Calculated Properties
JChem
Acid pKa
14.945535
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5283346
LogD (pH = 7.4)
2.5283346
Log P
2.5283346
Molar Refractivity
68.7
Polarizability
25.098959
Polar Surface Area
34.14
Rotatable Bonds
0
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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