Keyword(s): Human Metabolites
Molecule Category Free-form
UNII F66XUI6GZL
EPA CompTox DTXSID8048315

Structure

InChI Key YQKAVWCGQQXBGW-UHFFFAOYSA-N
Smiles CC1CCCCN1CCCOC(=O)c1ccccc1
InChI
InChI=1S/C16H23NO2/c1-14-8-5-6-11-17(14)12-7-13-19-16(18)15-9-3-2-4-10-15/h2-4,9-10,14H,5-8,11-13H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H23N1O2
Molecular Weight 261.17
AlogP 3.11
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 29.54
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 136-82-3
NORMAN SUSDAT
FDA SRS F66XUI6GZL
PubChem 10782
ChemSpider 10326.0