Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9566855ULN
EPA CompTox DTXSID9023170

Structure

InChI Key PUYOAVGNCWPANW-UHFFFAOYSA-N
Smiles CC(C)COC(=O)c1ccc(N)cc1
InChI
InChI=1S/C11H15NO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7,12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15N1O2
Molecular Weight 193.11
AlogP 2.08
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 52.32
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 94-14-4
NORMAN SUSDAT
FDA SRS 9566855ULN
PubChem 7176
ChemSpider 6908.0