Molecule

ID:44673

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉Cl₃O₃S
Molecular Mass
351.63276
Exact Mass
349.93379819
Charge
0
InChI
InChI=1S/C13H9Cl3O3S/c14-10-6-11(15)13(12(16)7-10)19-20(17,18)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKey
BLOMCQQCBMOQLR-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(c(c1)Cl)OS(=O)(=O)Cc1ccccc1
Isomeric Smiles
S(=O)(=O)(Oc1c(cc(cc1Cl)Cl)Cl)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.764342
LogD (pH = 7.4)
4.764342
Log P
4.764342
Molar Refractivity
79.9422
Polarizability
32.389126
Polar Surface Area
43.37
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