Molecule
ID:66162
General Information
Molecular Formula
C₆H₂Cl₂F₃N
Molecular Mass
215.9879896
Exact Mass
214.95163909
Charge
0
InChI
InChI=1S/C6H2Cl2F3N/c7-3-1-12-2-4(8)5(3)6(9,10)11/h1-2H
InChIKey
FHIUKPABXRIYGU-UHFFFAOYSA-N
Canonic Smiles
Clc1cncc(c1C(F)(F)F)Cl
Isomeric Smiles
c1c(c(c(cn1)Cl)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.841487
LogD (pH = 7.4)
2.841511
Log P
2.8415112
Molar Refractivity
39.4844
Polarizability
14.796963
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...