Molecule

ID:8159

General Information
Structure
Molecular Formula
C₇H₂ClF₃O
Molecular Mass
194.5383896
Exact Mass
193.97462702
Charge
0
InChI
InChI=1S/C7H2ClF3O/c8-7(12)3-1-4(9)6(11)5(10)2-3/h1-2H
InChIKey
YRUNCQNKZIQTEO-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(F)c(c(c1)F)F
Isomeric Smiles
c1(c(c(cc(c1)C(=O)Cl)F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5922642
LogD (pH = 7.4)
2.5922642
Log P
2.5922642
Molar Refractivity
37.8219
Polarizability
13.596517
Polar Surface Area
17.07
Rotatable Bonds
1
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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