Keyword(s): Human Metabolites
Molecule Category Free-form
UNII U34EAV21TG
EPA CompTox DTXSID4060369

Structure

InChI Key WREVVZMUNPAPOV-UHFFFAOYSA-N
Smiles Nc1cccc2cccnc12
InChI
InChI=1S/C9H8N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H8N2
Molecular Weight 144.07
AlogP 1.82
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 38.91
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 578-66-5
NORMAN SUSDAT
FDA SRS U34EAV21TG
PubChem 11359
ChemSpider 10881.0