Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50302425

Structure

InChI Key UGNSMKDDFAUGFT-UHFFFAOYSA-N
Smiles CC1(C)COC(=N1)c1ccccc1
InChI
InChI=1S/C11H13NO/c1-11(2)8-13-10(12-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H13N1O1
Molecular Weight 175.1
AlogP 2.24
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 21.59
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 19312-06-2
NORMAN SUSDAT
PubChem 289239
ChemSpider 255125.0