Molecule

ID:136702

General Information
Structure
Molecular Formula
C₁₅H₉ClO₂
Molecular Mass
256.68376
Exact Mass
256.02910721
Charge
0
InChI
InChI=1S/C15H9ClO2/c16-12-7-5-10(6-8-12)15(17)14-9-11-3-1-2-4-13(11)18-14/h1-9H
InChIKey
FQHJAAOLWZILJU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)c1cc2c(o1)cccc2
Isomeric Smiles
c1ccc2c(c1)cc(o2)C(=O)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.115768
LogD (pH = 7.4)
4.115768
Log P
4.115768
Molar Refractivity
70.1569
Polarizability
28.232685
Polar Surface Area
30.21
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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