Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20240709

Structure

InChI Key JZJGGWZIRGGIDK-UHFFFAOYSA-N
Smiles NC1=NCC(=O)O1
InChI
InChI=1S/C3H4N2O2/c4-3-5-1-2(6)7-3/h1H2,(H2,4,5)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4N2O2
Molecular Weight 100.03
AlogP -0.93
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Polar Surface Area 62.18
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 94134-26-6
NORMAN SUSDAT
PubChem 3023668
ChemSpider 2289787.0