Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EL6R792B4T
EPA CompTox DTXSID70227308

Structure

InChI Key ACDLOOGOFKSUPO-UHFFFAOYSA-N
Smiles Cc1ccc(Br)s1
InChI
InChI=1S/C5H5BrS/c1-4-2-3-5(6)7-4/h2-3H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5Br1S1
Molecular Weight 175.93
AlogP 2.82
Hydrogen Bond Acceptor 1.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 765-58-2
NORMAN SUSDAT
FDA SRS EL6R792B4T
PubChem 69831
ChemSpider 63028.0