Molecule

ID:94266

General Information
Structure
MolImage
Molecular Formula
C₈H₅Cl₂F₃
Molecular Mass
229.0265096
Exact Mass
227.97204018
Charge
0
InChI
InChI=1S/C8H5Cl2F3/c1-4-2-3-5(8(11,12)13)7(10)6(4)9/h2-3H,1H3
InChIKey
NSMXZYCKOJMQON-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1Cl)Cl)C(F)(F)F
Isomeric Smiles
FC(c1c(c(c(cc1)C)Cl)Cl)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.572605
LogD (pH = 7.4)
4.572605
Log P
4.572605
Molar Refractivity
46.6825
Polarizability
17.237125
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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