Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7Z1E6HIT9S
EPA CompTox DTXSID60239374

Structure

InChI Key KGWPHCDTOLQQEP-UHFFFAOYSA-N
Smiles Cc1c2[nH]ccc2ccc1
InChI
InChI=1S/C9H9N/c1-7-3-2-4-8-5-6-10-9(7)8/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 933-67-5
NORMAN SUSDAT
FDA SRS 7Z1E6HIT9S
PubChem 70275
ChemSpider 63459.0