Molecule

ID:32011

General Information
Structure
Molecular Formula
C₈H₅ClF₄
Molecular Mass
212.5719128
Exact Mass
212.00159072
Charge
0
InChI
InChI=1S/C8H5ClF4/c1-4-2-3-5(9)6(7(4)10)8(11,12)13/h2-3H,1H3
InChIKey
OXDBCVFGACYJMJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1C(F)(F)F)F)C
Isomeric Smiles
C(c1c(c(ccc1Cl)C)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.1112623
LogD (pH = 7.4)
4.1112623
Log P
4.1112623
Molar Refractivity
42.0941
Polarizability
15.126442
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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