Molecule

ID:32092

General Information
Structure
Molecular Formula
C₈H₅Cl₂F₃
Molecular Mass
229.0265096
Exact Mass
227.97204018
Charge
0
InChI
InChI=1S/C8H5Cl2F3/c1-8(12,13)6-4(9)2-3-5(11)7(6)10/h2-3H,1H3
InChIKey
WWTCPWNBAYCCDJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1C(F)(F)C)Cl)F
Isomeric Smiles
c1(c(c(c(cc1)Cl)C(C)(F)F)Cl)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9611878
LogD (pH = 7.4)
3.9611878
Log P
3.9611878
Molar Refractivity
45.9898
Polarizability
17.273079
Polar Surface Area
0.0
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
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Molecule Details
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References
Bioactivity
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