Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ULB29Z652D
EPA CompTox DTXSID9041524

Structure

InChI Key RXKNNAKAVAHBNK-UHFFFAOYSA-N
Smiles [O-][N+](=O)c1cc[n+]([O-])cc1
InChI
InChI=1S/C5H4N2O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H4N2O3
Molecular Weight 140.02
AlogP 0.23
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 70.08
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1124-33-0
NORMAN SUSDAT
FDA SRS ULB29Z652D
PubChem 14300
ChemSpider 63899.0