Molecule
ID:29906
General Information
Molecular Formula
C₈H₆ClF₃
Molecular Mass
194.5814496
Exact Mass
194.01101253
Charge
0
InChI
InChI=1S/C8H6ClF3/c9-7-4-2-1-3-6(7)5-8(10,11)12/h1-4H,5H2
InChIKey
WGQGWJIUZVXRKN-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1CC(F)(F)F
Isomeric Smiles
c1(c(cccc1)CC(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7254422
LogD (pH = 7.4)
3.7254422
Log P
3.7254422
Molar Refractivity
41.2883
Polarizability
15.207712
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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