Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L0AD7T152G
EPA CompTox DTXSID4047090

Structure

InChI Key CQLOYHZZZCWHSG-UHFFFAOYSA-N
Smiles Cc1c2nccnc2ccc1
InChI
InChI=1S/C9H8N2/c1-7-3-2-4-8-9(7)11-6-5-10-8/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 13708-12-8
NORMAN SUSDAT
FDA SRS L0AD7T152G
PubChem 61670
ChemSpider 55574.0