Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID801006447

Structure

InChI Key OAAXEKNPTNLHID-UHFFFAOYSA-N
Smiles O=C(OCC)C1N(CCCC)CCCC1
InChI
InChI=1/C12H23NO2/c1-3-5-9-13-10-7-6-8-11(13)12(14)15-4-2/h11H,3-10H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H23NO2
Molecular Weight 213.17
AlogP 2.2
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 29.54
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 85866-14-4
NORMAN SUSDAT
PubChem 3021002