Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50887707

Structure

InChI Key AATMBDYQEPKVEN-UHFFFAOYSA-N
Smiles O=C(OCC)CCN1CCCC(C)C1
InChI
InChI=1/C11H21NO2/c1-3-14-11(13)6-8-12-7-4-5-10(2)9-12/h10H,3-9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H21NO2
Molecular Weight 199.16
AlogP 1.67
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 29.54
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 70644-49-4
NORMAN SUSDAT
PubChem 116670