Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20928338

Structure

InChI Key CLCWCGOCHZSFQE-UHFFFAOYSA-N
Smiles O1CC1CN(CC2OC2)C3CCCCC3
InChI
InChI=1/C12H21NO2/c1-2-4-10(5-3-1)13(6-11-8-14-11)7-12-9-15-12/h10-12H,1-9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H21NO2
Molecular Weight 211.16
AlogP 1.42
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 28.3
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 13391-15-6
NORMAN SUSDAT
PubChem 114504