Keyword(s): Human Metabolites
Molecule Category Free-form
UNII B9L46SY33B
EPA CompTox DTXSID7063841

Structure

InChI Key BXCOSWRSIISQSL-UHFFFAOYSA-N
Smiles Clc1cc(c(Cl)cc1)S(=O)(=O)Cl
InChI
InChI=1S/C6H3Cl3O2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H3Cl3O2S1
Molecular Weight 243.89
AlogP 2.92
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 34.14
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 5402-73-3
NORMAN SUSDAT
FDA SRS B9L46SY33B
PubChem 79401
ChemSpider 71720.0