Keyword(s): Human Metabolites
Molecule Category Free-form
UNII F75VS399FE

Structure

InChI Key KYWMCFOWDYFYLV-UHFFFAOYSA-N
Smiles O=C(O)C1=NC=CN1
InChI
InChI=1/C4H4N2O2/c7-4(8)3-5-1-2-6-3/h1-2H,(H,5,6)(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4N2O2
Molecular Weight 112.03
AlogP 0.11
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 65.98
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 58978-32-8
NORMAN SUSDAT
FDA SRS F75VS399FE
PubChem 574321