Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3338387XEA
EPA CompTox DTXSID20167043

Structure

InChI Key PZOUSPYUWWUPPK-UHFFFAOYSA-N
Smiles Cc1c2cc[nH]c2ccc1
InChI
InChI=1S/C9H9N/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6,10H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H9N1
Molecular Weight 131.07
AlogP 2.48
Hydrogen Bond Donor 1.0
Polar Surface Area 15.79
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 16096-32-5
NORMAN SUSDAT
FDA SRS 3338387XEA
PubChem 85282
ChemSpider 76913.0