Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6MHM4Y0Y72
EPA CompTox DTXSID8023975

Structure

InChI Key UBDUBBTYCRJUHW-UHFFFAOYSA-N
Smiles CS(=O)c1ccc(Cl)cc1
InChI
InChI=1S/C7H7ClOS/c1-10(9)7-4-2-6(8)3-5-7/h2-5H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7Cl1O1S1
Molecular Weight 173.99
AlogP 2.08
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 934-73-6
NORMAN SUSDAT
FDA SRS 6MHM4Y0Y72
PubChem 13626
ChemSpider 13037.0