Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4QUO6NYB5J
EPA CompTox DTXSID2075180

Structure

InChI Key FVVXWRGARUACNW-UHFFFAOYSA-N
Smiles Cc1cc2c(cccc2)cn1
InChI
InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)7-11-8/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 1125-80-0
NORMAN SUSDAT
FDA SRS 4QUO6NYB5J
PubChem 14306
ChemSpider 13668.0