Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30916266

Structure

InChI Key FIGXZOBRWFEACW-UHFFFAOYSA-N
Smiles O=C1NC(O)C(OC)N1
InChI
InChI=1/C4H8N2O3/c1-9-3-2(7)5-4(8)6-3/h2-3,7H,1H3,(H2,5,6,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8N2O3
Molecular Weight 132.05
AlogP -1.21
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 74.08
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 94158-56-2
NORMAN SUSDAT
PubChem 3023814