Molecule

ID:43463

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉Cl₂F₃O₃
Molecular Mass
341.1099696
Exact Mass
339.98808417
Charge
0
InChI
InChI=1S/C13H9Cl2F3O3/c1-2-20-12(19)8-4-6-3-7(14)5-9(15)10(6)21-11(8)13(16,17)18/h3-5,11H,2H2,1H3
InChIKey
LYTSKLUKUQXMGW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1=Cc2cc(Cl)cc(c2OC1C(F)(F)F)Cl
Isomeric Smiles
C1(=Cc2c(OC1C(F)(F)F)c(cc(c2)Cl)Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.5707593
LogD (pH = 7.4)
4.5707593
Log P
4.5707593
Molar Refractivity
71.6412
Polarizability
27.130901
Polar Surface Area
35.53
Rotatable Bonds
4
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