Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0546H9UR1R
EPA CompTox DTXSID90210595

Structure

InChI Key RHYBFKMFHLPQPH-UHFFFAOYSA-N
Smiles O=C1NC(=O)N(C)C1
InChI
InChI=1S/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6N2O2
Molecular Weight 114.04
AlogP 0.01
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 52.9
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 616-04-6
NORMAN SUSDAT
FDA SRS 0546H9UR1R
PubChem 69217
ChemSpider 62430.0