Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9G38RH5DF5

Structure

InChI Key OQZLEXNNZUGNII-UHFFFAOYSA-N
Smiles [O-][N+](=O)C1=CNC=CC1=O
InChI
InChI=1S/C5H4N2O3/c8-5-1-2-6-3-4(5)7(9)10/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H4N2O3
Molecular Weight 140.02
AlogP -0.2
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 1.0
Polar Surface Area 72.57
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 5435-54-1
NORMAN SUSDAT
FDA SRS 9G38RH5DF5