Keyword(s): Human Metabolites
Molecule Category Free-form
UNII XMN8H2XE9H
EPA CompTox DTXSID9060819

Structure

InChI Key NYPYPOZNGOXYSU-UHFFFAOYSA-N
Smiles Brc1cccnc1
InChI
InChI=1S/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H4Br1N1
Molecular Weight 156.95
AlogP 1.84
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 626-55-1
NORMAN SUSDAT
FDA SRS XMN8H2XE9H
PubChem 12286
ChemSpider 7685.0