Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80239997

Structure

InChI Key OSWAHUZAQGHENF-UHFFFAOYSA-N
Smiles CCCCCCCCN(C=O)c1ccc(OC)cc1
InChI
InChI=1S/C16H25NO2/c1-3-4-5-6-7-8-13-17(14-18)15-9-11-16(19-2)12-10-15/h9-12,14H,3-8,13H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H25N1O2
Molecular Weight 263.19
AlogP 4.02
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 29.54
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 93964-56-8
NORMAN SUSDAT
PubChem 3023115
ChemSpider 2289415.0