Molecule

ID:29939

General Information
Structure
MolImage
Molecular Formula
C₈H₅Cl₂F₃
Molecular Mass
229.0265096
Exact Mass
227.97204018
Charge
0
InChI
InChI=1S/C8H5Cl2F3/c9-6-2-1-5(7(10)3-6)4-8(11,12)13/h1-3H,4H2
InChIKey
YLJMLXBCCKEDIS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)CC(F)(F)F
Isomeric Smiles
c1(c(cc(cc1)Cl)Cl)CC(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.329487
LogD (pH = 7.4)
4.329487
Log P
4.329487
Molar Refractivity
46.0931
Polarizability
17.210783
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