Molecule

ID:95042

General Information
Structure
Molecular Formula
C₈H₆ClF₃
Molecular Mass
194.5814496
Exact Mass
194.01101253
Charge
0
InChI
InChI=1S/C8H6ClF3/c1-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3
InChIKey
CMXLWMLABMJODV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C(F)(F)F)Cl
Isomeric Smiles
FC(c1c(ccc(c1)C)Cl)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9685605
LogD (pH = 7.4)
3.9685605
Log P
3.9685605
Molar Refractivity
41.8777
Polarizability
15.206674
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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