Keyword(s): Human Metabolites
Molecule Category Free-form
UNII LVD8Y2BT9E
EPA CompTox DTXSID60180054

Structure

InChI Key GDAXJBDYNVDMDF-UHFFFAOYSA-N
Smiles c1cc2ncnnc2cc1
InChI
InChI=1S/C7H5N3/c1-2-4-7-6(3-1)8-5-9-10-7/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 254-87-5
NORMAN SUSDAT
FDA SRS LVD8Y2BT9E
PubChem 67491
ChemSpider 60815.0