Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TAQ8VE5GVQ
EPA CompTox DTXSID30185970

Structure

InChI Key YEYHFKBVNARCNE-UHFFFAOYSA-N
Smiles c1cc2nccnc2nc1
InChI
InChI=1S/C7H5N3/c1-2-6-7(9-3-1)10-5-4-8-6/h1-5H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5N3
Molecular Weight 131.05
AlogP 1.02
Hydrogen Bond Acceptor 3.0
Polar Surface Area 38.67
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 322-46-3
NORMAN SUSDAT
FDA SRS TAQ8VE5GVQ
PubChem 67580
ChemSpider 60901.0