Molecule

ID:68956

General Information
Structure
MolImage
Molecular Formula
C₈H₄ClF₃O₂
Molecular Mass
224.5643696
Exact Mass
223.98519171
Charge
0
InChI
InChI=1S/C8H4ClF3O2/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-4H
InChIKey
SDBUQQVMQXOGBO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)Cl)OC(F)(F)F
Isomeric Smiles
C(=O)c1cc(c(cc1)OC(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7209044
LogD (pH = 7.4)
3.7209044
Log P
3.7209044
Molar Refractivity
40.5171
Polarizability
16.28535
Polar Surface Area
26.3
Rotatable Bonds
3
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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