Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1I92X32F6H

Structure

InChI Key XQJMXPAEFMWDOZ-UHFFFAOYSA-N
Smiles CN1C2CCC1CC(C2)OC(=O)c3ccccc3
InChI
InChI=1/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H19NO2
Molecular Weight 245.14
AlogP 2.47
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 29.54
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 537-26-8
NORMAN SUSDAT
FDA SRS 1I92X32F6H