Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20182872

Structure

InChI Key HTSNODFENVAWHZ-UHFFFAOYSA-N
Smiles Cc1cc2c(CCC2)nc1
InChI
InChI=1S/C9H11N/c1-7-5-8-3-2-4-9(8)10-6-7/h5-6H,2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H11N1
Molecular Weight 133.09
AlogP 1.88
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 28712-61-0
NORMAN SUSDAT
PubChem 120027
ChemSpider 107154.0