Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20184816

Structure

InChI Key CJGXMNONHNZEQQ-JTQLQIEISA-N
Smiles CCOC(=O)[C@@H](N)Cc1ccccc1
InChI
InChI=1S/C11H15NO2/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9/h3-7,10H,2,8,12H2,1H3/t10-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15NO2
Molecular Weight 193.11
AlogP 1.12
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 52.32
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 3081-24-1
NORMAN SUSDAT