Molecule

ID:99093

General Information
Structure
MolImage
Molecular Formula
C₁₅H₈ClFO₂
Molecular Mass
274.6742232
Exact Mass
274.0196854
Charge
0
InChI
InChI=1S/C15H8ClFO2/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8H
InChIKey
KORJBHAWGHTRHT-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1cc(=O)c2c(o1)ccc(c2)F
Isomeric Smiles
o1c(cc(=O)c2c1ccc(c2)F)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
15.327647
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7141316
LogD (pH = 7.4)
3.7141316
Log P
3.7141316
Molar Refractivity
71.9924
Polarizability
26.81635
Polar Surface Area
26.3
Rotatable Bonds
1
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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