Molecule

ID:75397

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇Cl₃O₂S
Molecular Mass
321.60678
Exact Mass
319.9232335
Charge
0
InChI
InChI=1S/C12H7Cl3O2S/c13-10-5-9(6-11(14)7-10)8-1-3-12(4-2-8)18(15,16)17/h1-7H
InChIKey
KBMKQHVXGMOKKI-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)cc(c1)c1ccc(cc1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)c1cc(cc(c1)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.7748637
LogD (pH = 7.4)
4.7748637
Log P
4.7748637
Molar Refractivity
74.998
Polarizability
31.057825
Polar Surface Area
34.14
Rotatable Bonds
2
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