Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID6022264

Structure

InChI Key QBPDSKPWYWIHGA-UHFFFAOYSA-N
Smiles O=[N+]([O-])C1=NC=CC=C1O
InChI
InChI=1/C5H4N2O3/c8-4-2-1-3-6-5(4)7(9)10/h1-3,8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5N2O3
Molecular Weight 140.02
AlogP 0.7
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 76.26
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 15128-82-2
NORMAN SUSDAT
PubChem 27057