Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8EY3TU7TCM
EPA CompTox DTXSID90186988

Structure

InChI Key PISHKRUMARWBKY-UHFFFAOYSA-N
Smiles CCOC(=O)Cc1cc(C)cn1C
InChI
InChI=1S/C10H15NO2/c1-4-13-10(12)6-9-5-8(2)7-11(9)3/h5,7H,4,6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15N1O2
Molecular Weight 181.11
AlogP 1.44
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 31.23
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 33369-47-0
NORMAN SUSDAT
FDA SRS 8EY3TU7TCM
PubChem 118467
ChemSpider 105886.0