Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20885795

Structure

InChI Key OVEUFHOBGCSKSH-UHFFFAOYSA-N
Smiles O1CC1CN(C=2C=CC=CC2C)CC3OC3
InChI
InChI=1/C13H17NO2/c1-10-4-2-3-5-13(10)14(6-11-8-15-11)7-12-9-16-12/h2-5,11-12H,6-9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H17NO2
Molecular Weight 219.13
AlogP 1.6
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 28.3
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 40027-50-7
NORMAN SUSDAT
PubChem 99930