Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 43Q5P667CM
EPA CompTox DTXSID5041691

Structure

InChI Key RJKCKKDSSSRYCB-UHFFFAOYSA-N
Smiles c1ccccc1CN(C(=O)C(C)(C)C)C(C)C
InChI
InChI=1S/C15H23NO/c1-12(2)16(14(17)15(3,4)5)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H23N1O1
Molecular Weight 233.18
AlogP 3.47
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 20.31
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 35256-85-0
NORMAN SUSDAT
FDA SRS 43Q5P667CM
PubChem 92299
ChemSpider 83330.0