Molecule

ID:7046

General Information
Structure
MolImage
Molecular Formula
C₇H₂Cl₂F₂O
Molecular Mass
210.9929864
Exact Mass
209.94507648
Charge
0
InChI
InChI=1S/C7H2Cl2F2O/c8-5-4(10)2-1-3(6(5)11)7(9)12/h1-2H
InChIKey
XGKKQSXUVHMKGM-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(c(c1F)Cl)F
Isomeric Smiles
c1c(c(c(c(c1)C(=O)Cl)F)Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.053607
LogD (pH = 7.4)
3.053607
Log P
3.053607
Molar Refractivity
42.4103
Polarizability
15.734502
Polar Surface Area
17.07
Rotatable Bonds
1
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