Keyword(s): Natural Toxins
Molecule Category Free-form
UNII 1I0JQQ440Q
EPA CompTox DTXSID50878736

Structure

InChI Key ZMWZGZSARWJATP-UHFFFAOYSA-N
Smiles NC1=C(O)C(O)=NC(=N)N1
InChI
InChI=1S/C4H6N4O2/c5-2-1(9)3(10)8-4(6)7-2/h9H,(H5,5,6,7,8,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6N4O2
Molecular Weight 142.05
AlogP -1.12
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 5.0
Polar Surface Area 119.01
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 32267-39-3
NORMAN SUSDAT
FDA SRS 1I0JQQ440Q
PubChem 91606
ChemSpider 82716.0