Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 34FFO6Y520
EPA CompTox DTXSID5060063

Structure

InChI Key OKEAMBAZBICIFP-UHFFFAOYSA-N
Smiles [O-][n+]1c2ccccc2no1
InChI
InChI=1S/C6H4N2O2/c9-8-6-4-2-1-3-5(6)7-10-8/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H4N2O2
Molecular Weight 136.03
AlogP 0.46
Hydrogen Bond Acceptor 3.0
Polar Surface Area 52.97
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 480-96-6
NORMAN SUSDAT
FDA SRS 34FFO6Y520
PubChem 68075
ChemSpider 61388.0