Molecule

ID:56960

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈Cl₄O₂
Molecular Mass
350.02412
Exact Mass
347.92784022
Charge
0
InChI
InChI=1S/C14H8Cl4O2/c15-9-3-4-13(11(5-9)14(18)19)20-7-8-1-2-10(16)6-12(8)17/h1-6H,7H2
InChIKey
RFUXQEXXNZBOKH-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)COc1ccc(cc1C(=O)Cl)Cl
Isomeric Smiles
c1(cc(c(cc1)OCc1ccc(cc1Cl)Cl)C(=O)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.543094
LogD (pH = 7.4)
5.543094
Log P
5.543094
Molar Refractivity
82.6629
Polarizability
31.914928
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
false
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