Molecule

ID:98032

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉ClF₂
Molecular Mass
238.6603664
Exact Mass
238.03608441
Charge
0
InChI
InChI=1S/C13H9ClF2/c14-12-9-5-4-8-11(12)13(15,16)10-6-2-1-3-7-10/h1-9H
InChIKey
XSCPBVGNIPLGJA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1C(c1ccccc1)(F)F
Isomeric Smiles
FC(c1ccccc1)(c1c(cccc1)Cl)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.9251585
LogD (pH = 7.4)
4.9251585
Log P
4.9251585
Molar Refractivity
60.667
Polarizability
23.026438
Polar Surface Area
0.0
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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