Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key WDNIHYDTZZOFLR-UHFFFAOYSA-N
Smiles BrC(Br)(Br)C#N
InChI
InChI=1S/C2Br3N/c3-2(4,5)1-6

Physicochemical Descriptors

Property Name Value
Molecular Formula C2Br3N1
Molecular Weight 274.76
AlogP 2.35
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 75519-19-6
NORMAN SUSDAT