Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00942072

Structure

InChI Key UWSZDTKNLYGFOX-UHFFFAOYSA-N
Smiles O=C(OC)C(NC=1C=CC=CC1)(C)C
InChI
InChI=1/C11H15NO2/c1-11(2,10(13)14-3)12-9-7-5-4-6-8-9/h4-8,12H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15NO2
Molecular Weight 193.11
AlogP 2.05
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 38.33
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 20059-62-5
NORMAN SUSDAT
PubChem 88348