Molecule

ID:89227

General Information
Structure
MolImage
Molecular Formula
C₅H₂Cl₃NO₂S
Molecular Mass
246.49888
Exact Mass
244.88718235
Charge
0
InChI
InChI=1S/C5H2Cl3NO2S/c6-4-1-3(12(8,10)11)2-9-5(4)7/h1-2H
InChIKey
AXIWIKRWIWIPGT-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(cc1Cl)S(=O)(=O)Cl
Isomeric Smiles
n1cc(cc(c1Cl)Cl)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.130143
LogD (pH = 7.4)
2.130143
Log P
2.130143
Molar Refractivity
48.7662
Polarizability
19.638933
Polar Surface Area
47.03
Rotatable Bonds
1
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