Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HX5MEU6VFT
EPA CompTox DTXSID8062862

Structure

InChI Key SKDNDSLDRLEELJ-UHFFFAOYSA-N
Smiles Brc1cc(Br)c(Br)s1
InChI
InChI=1S/C4HBr3S/c5-2-1-3(6)8-4(2)7/h1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H1Br3S1
Molecular Weight 317.73
AlogP 4.04
Hydrogen Bond Acceptor 1.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 3141-24-0
NORMAN SUSDAT
FDA SRS HX5MEU6VFT
PubChem 76592
ChemSpider 31345.0