Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FJZ20I1LPS
EPA CompTox DTXSID70182983

Structure

InChI Key ZCQWOFVYLHDMMC-UHFFFAOYSA-N
Smiles O1C=CN=C1
InChI
InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H3N1O1
Molecular Weight 69.02
AlogP 0.67
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.03
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 288-42-6
NORMAN SUSDAT
FDA SRS FJZ20I1LPS
PubChem 9255
ChemSpider 8898.0