Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7Z74FM5ZZL
EPA CompTox DTXSID6062888

Structure

InChI Key FGYBDASKYMSNCX-UHFFFAOYSA-N
Smiles Clc1ccc(Cl)s1
InChI
InChI=1S/C4H2Cl2S/c5-3-1-2-4(6)7-3/h1-2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H2Cl2S1
Molecular Weight 151.93
AlogP 3.05
Hydrogen Bond Acceptor 1.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 3172-52-9
NORMAN SUSDAT
FDA SRS 7Z74FM5ZZL
PubChem 18501
ChemSpider 17474.0