Keyword(s): Human Metabolites
Molecule Category Free-form
UNII R53MYZ5BPN
EPA CompTox DTXSID60182871

Structure

InChI Key ZCXXDEJQLTXXJL-UHFFFAOYSA-N
Smiles C1CCCc2ncccc2CC1
InChI
InChI=1S/C11H15N/c1-2-4-8-11-10(6-3-1)7-5-9-12-11/h5,7,9H,1-4,6,8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15N1
Molecular Weight 161.12
AlogP 2.74
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 28712-60-9
NORMAN SUSDAT
FDA SRS R53MYZ5BPN
PubChem 120026
ChemSpider 107153.0