Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4ACM79Y5D8
EPA CompTox DTXSID3074731

Structure

InChI Key KMVZDSQHLDGKGV-UHFFFAOYSA-N
Smiles Clc1ccccc1S(=O)(=O)Cl
InChI
InChI=1S/C6H4Cl2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H4Cl2O2S1
Molecular Weight 209.93
AlogP 2.27
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 34.14
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 2905-23-9
NORMAN SUSDAT
FDA SRS 4ACM79Y5D8
PubChem 76187
ChemSpider 68670.0