Molecule

ID:97285

General Information
Structure
Molecular Formula
C₇H₃ClF₄
Molecular Mass
198.5453328
Exact Mass
197.98594066
Charge
0
InChI
InChI=1S/C7H3ClF4/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H
InChIKey
ILUCOEVDXAZECW-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1C(F)(F)F)Cl
Isomeric Smiles
Clc1c(c(ccc1)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.597841
LogD (pH = 7.4)
3.597841
Log P
3.597841
Molar Refractivity
37.0529
Polarizability
13.434816
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
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Molecule Details
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References
Bioactivity
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