Molecule

ID:32088

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClF₃
Molecular Mass
194.5814496
Exact Mass
194.01101253
Charge
0
InChI
InChI=1S/C8H6ClF3/c1-8(11,12)5-2-3-7(10)6(9)4-5/h2-4H,1H3
InChIKey
WSIOCJKZOIPXEE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1Cl)C(F)(F)C
Isomeric Smiles
FC(F)(C)c1cc(Cl)c(cc1)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3571432
LogD (pH = 7.4)
3.3571432
Log P
3.3571432
Molar Refractivity
41.185
Polarizability
15.25536
Polar Surface Area
0.0
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
No Data Available
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Molecule Details
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References
Bioactivity
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