Molecule

ID:25993

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉Cl₂FO₂
Molecular Mass
299.1244632
Exact Mass
297.99636311
Charge
0
InChI
InChI=1S/C14H9Cl2FO2/c15-10-4-5-14(9(6-10)7-18)19-8-11-12(16)2-1-3-13(11)17/h1-7H,8H2
InChIKey
PAIPYSISPLQMSJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl
Isomeric Smiles
c1(COc2c(cc(cc2)Cl)C=O)c(Cl)cccc1F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.603341
LogD (pH = 7.4)
4.603341
Log P
4.603341
Molar Refractivity
73.5438
Polarizability
27.817137
Polar Surface Area
26.3
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