Keyword(s): Human Metabolites
Molecule Category Free-form
UNII OS382OHJ8P
EPA CompTox DTXSID9021550

Structure

InChI Key ATDGTVJJHBUTRL-UHFFFAOYSA-N
Smiles N#CBr
InChI
InChI=1/CBrN/c2-1-3

Physicochemical Descriptors

Property Name Value
Molecular Formula CBrN
Molecular Weight 104.92
AlogP 0.86
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 3.0

Cross References

Resources Reference
CAS NUMBER 506-68-3
NORMAN SUSDAT
FDA SRS OS382OHJ8P
PubChem 10476