Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 03VU31MV6J
EPA CompTox DTXSID50222831

Structure

InChI Key ALHUXMDEZNLFTA-UHFFFAOYSA-N
Smiles Cc1cnc2ccccc2n1
InChI
InChI=1S/C9H8N2/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-6H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H8N2
Molecular Weight 144.07
AlogP 1.94
Hydrogen Bond Acceptor 2.0
Polar Surface Area 25.78
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 7251-61-8
NORMAN SUSDAT
FDA SRS 03VU31MV6J
PubChem 23686
ChemSpider 22148.0