Molecule

ID:10433

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₄O₂S
Molecular Mass
279.95588
Exact Mass
277.85296102
Charge
0
InChI
InChI=1S/C6H2Cl4O2S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H
InChIKey
WNVVRCKTQSCPAC-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(c(cc1Cl)Cl)S(=O)(=O)Cl
Isomeric Smiles
c1(c(cc(c(c1)S(=O)(=O)Cl)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7316828
LogD (pH = 7.4)
3.7316828
Log P
3.7316828
Molar Refractivity
54.6666
Polarizability
22.37547
Polar Surface Area
34.14
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
References
Bioactivity
Navigation