Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FT4H29XG8P
EPA CompTox DTXSID30198883

Structure

InChI Key FDWSIACICRBLGW-UHFFFAOYSA-N
Smiles Clc1nc(Cl)c(Cl)s1
InChI
InChI=1S/C3Cl3NS/c4-1-2(5)8-3(6)7-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C3Cl3N1S1
Molecular Weight 186.88
AlogP 3.1
Hydrogen Bond Acceptor 2.0
Polar Surface Area 12.89
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 50844-30-9
NORMAN SUSDAT
FDA SRS FT4H29XG8P
PubChem 3016564
ChemSpider 2284495.0