Molecule

ID:99051

General Information
Structure
MolImage
Molecular Formula
C₈H₄Cl₂F₄
Molecular Mass
247.0169728
Exact Mass
245.96261837
Charge
0
InChI
InChI=1S/C8H4Cl2F4/c9-7(10)5-3-4(11)1-2-6(5)8(12,13)14/h1-3,7H
InChIKey
OPIPZFYWPRCKCJ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C(Cl)Cl)C(F)(F)F
Isomeric Smiles
FC(c1c(cc(cc1)F)C(Cl)Cl)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.2497387
LogD (pH = 7.4)
4.2497387
Log P
4.2497387
Molar Refractivity
47.1691
Polarizability
17.117367
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