Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EOW995K43C
EPA CompTox DTXSID5025657

Structure

InChI Key KDYVCOSVYOSHOL-UHFFFAOYSA-N
Smiles Cc1cc2ncccc2cc1
InChI
InChI=1S/C10H9N/c1-8-4-5-9-3-2-6-11-10(9)7-8/h2-7H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H9N1
Molecular Weight 143.07
AlogP 2.54
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 612-60-2
NORMAN SUSDAT
FDA SRS EOW995K43C
PubChem 11927
ChemSpider 11433.0