Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10954525

Structure

InChI Key MWBVNWYNXULIDI-UHFFFAOYSA-N
Smiles O=C(OCC)C(C1=CC=C(N)C=C1)C
InChI
InChI=1/C11H15NO2/c1-3-14-11(13)8(2)9-4-6-10(12)7-5-9/h4-8H,3,12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15NO2
Molecular Weight 193.11
AlogP 1.94
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 32868-25-0
NORMAN SUSDAT
PubChem 118009