Molecule

ID:9215

General Information
Structure
MolImage
Molecular Formula
C₈H₄ClF₃O₂
Molecular Mass
224.5643696
Exact Mass
223.98519171
Charge
0
InChI
InChI=1S/C8H4ClF3O2/c9-7(13)5-3-1-2-4-6(5)14-8(10,11)12/h1-4H
InChIKey
KSHPWYXAJJCUMJ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccccc1OC(F)(F)F
Isomeric Smiles
c1ccc(c(c1)C(=O)Cl)OC(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.59527
LogD (pH = 7.4)
3.59527
Log P
3.59527
Molar Refractivity
40.243
Polarizability
16.254305
Polar Surface Area
26.3
Rotatable Bonds
3
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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