Keyword(s): Human Metabolites
Molecule Category Free-form
UNII U4VGB8C36D
EPA CompTox DTXSID5062920

Structure

InChI Key UDATXMIGEVPXTR-UHFFFAOYSA-N
Smiles O=c1[nH][nH]c(=O)[nH]1
InChI
InChI=1S/C2H3N3O2/c6-1-3-2(7)5-4-1/h(H3,3,4,5,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H3N3O2
Molecular Weight 101.02
AlogP -0.78
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Polar Surface Area 82.03
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 3232-84-6
NORMAN SUSDAT
FDA SRS U4VGB8C36D
PubChem 72916
ChemSpider 65748.0