Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9FRH35YH8R
EPA CompTox DTXSID3042263

Structure

InChI Key LGZZJTIUEJNNKV-UHFFFAOYSA-N
Smiles CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChI
InChI=1S/C7H3Cl5S/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H3Cl5S1
Molecular Weight 293.84
AlogP 5.68
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 1825-19-0
NORMAN SUSDAT
FDA SRS 9FRH35YH8R
PubChem 15766
ChemSpider 14992.0