Keyword(s): Human Metabolites
Molecule Category Free-form
UNII V4W4Z4K29X
EPA CompTox DTXSID00211452

Structure

InChI Key ZHXUWDPHUQHFOV-UHFFFAOYSA-N
Smiles Brc1cnc(Br)cc1
InChI
InChI=1S/C5H3Br2N/c6-4-1-2-5(7)8-3-4/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H3Br2N1
Molecular Weight 234.86
AlogP 2.61
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 624-28-2
NORMAN SUSDAT
FDA SRS V4W4Z4K29X
PubChem 69353
ChemSpider 62562.0