Molecule

ID:56896

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁Cl₂FO₃
Molecular Mass
329.1504432
Exact Mass
328.00692779
Charge
0
InChI
InChI=1S/C15H11Cl2FO3/c1-20-13-4-2-3-11(15(17)19)14(13)21-8-9-5-6-10(18)7-12(9)16/h2-7H,8H2,1H3
InChIKey
MPNLJLCLSBHOHB-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1OCc1ccc(cc1Cl)F)C(=O)Cl
Isomeric Smiles
c1cc(c(c(c1)OC)OCc1ccc(cc1Cl)F)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.3200355
LogD (pH = 7.4)
4.3200355
Log P
4.3200355
Molar Refractivity
79.7329
Polarizability
30.363607
Polar Surface Area
35.53
Rotatable Bonds
5
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