Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40190050

Structure

InChI Key HTMGQIXFZMZZKD-UHFFFAOYSA-N
Smiles C1CCc2c(C1)ccnc2
InChI
InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h5-7H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H11N1
Molecular Weight 133.09
AlogP 1.96
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 36556-06-6
NORMAN SUSDAT
PubChem 119010
ChemSpider 106340.0