Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID2074532

Structure

InChI Key IAXWZYXUKABJAN-UHFFFAOYSA-N
Smiles Nc1ccno1
InChI
InChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4N2O1
Molecular Weight 84.03
AlogP 0.26
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 52.05
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 14678-05-8
NORMAN SUSDAT
PubChem 84591
ChemSpider 76312.0