Molecule

ID:11752

General Information
Structure
Molecular Formula
C₆H₂Cl₂F₃N
Molecular Mass
215.9879896
Exact Mass
214.95163909
Charge
0
InChI
InChI=1S/C6H2Cl2F3N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H
InChIKey
ABNQGNFVSFKJGI-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(cc1Cl)C(F)(F)F
Isomeric Smiles
c1(cnc(c(c1)Cl)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0616884
LogD (pH = 7.4)
3.0616884
Log P
3.0616884
Molar Refractivity
40.5457
Polarizability
14.835858
Polar Surface Area
12.89
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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