Molecule

ID:94735

General Information
Structure
MolImage
Molecular Formula
C₈H₂Cl₂F₆
Molecular Mass
282.9978992
Exact Mass
281.94377474
Charge
0
InChI
InChI=1S/C8H2Cl2F6/c9-5-3(7(11,12)13)1-2-4(6(5)10)8(14,15)16/h1-2H
InChIKey
SSRCBZUCOIMMAS-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(c(c1Cl)Cl)C(F)(F)F)(F)F
Isomeric Smiles
FC(c1c(c(c(cc1)C(F)(F)F)Cl)Cl)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.937032
LogD (pH = 7.4)
4.937032
Log P
4.937032
Molar Refractivity
47.615
Polarizability
17.278664
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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
Bioactivity
Navigation