Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YP7LTT03Y2
EPA CompTox DTXSID10172202

Structure

InChI Key LUNYYTDCIRGSDM-UHFFFAOYSA-N
Smiles BrC(Br)(C#N)C#N
InChI
InChI=1S/C3Br2N2/c4-3(5,1-6)2-7

Physicochemical Descriptors

Property Name Value
Molecular Formula C3Br2N2
Molecular Weight 221.84
AlogP 1.52
Hydrogen Bond Acceptor 2.0
Polar Surface Area 47.58
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 1885-23-0
NORMAN SUSDAT
FDA SRS YP7LTT03Y2
PubChem 74666
ChemSpider 67241.0