Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80953186

Structure

InChI Key VGUXUBAHVQOINX-UHFFFAOYSA-N
Smiles O=C(OC)C(C)CN(CCC)CCC
InChI
InChI=1/C11H23NO2/c1-5-7-12(8-6-2)9-10(3)11(13)14-4/h10H,5-9H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H23NO2
Molecular Weight 201.17
AlogP 1.92
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 29.54
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 31084-17-0
NORMAN SUSDAT
PubChem 3015534