Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Q732PG0Y16
EPA CompTox DTXSID5063734

Structure

InChI Key ZCBIFHNDZBSCEP-UHFFFAOYSA-N
Smiles Nc1cc2c([nH]cc2)cc1
InChI
InChI=1S/C8H8N2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H8N2
Molecular Weight 132.07
AlogP 1.75
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Polar Surface Area 41.81
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 5192-03-0
NORMAN SUSDAT
FDA SRS Q732PG0Y16
PubChem 78867
ChemSpider 71202.0