Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 57U33ASF4X

Structure

InChI Key GAHKEUUHTHVKEA-UHFFFAOYSA-N
Smiles N#CC1CC2CCC1C2
InChI
InChI=1/C8H11N/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H11N
Molecular Weight 121.09
AlogP 1.95
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 2234-26-6
NORMAN SUSDAT
FDA SRS 57U33ASF4X
PubChem 102231