Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50195218

Structure

InChI Key NHSDIZSYJOGUJB-UHFFFAOYSA-N
Smiles CCOC(=O)CCN1CCN(CCC(=O)OCC)CC1
InChI
InChI=1S/C14H26N2O4/c1-3-19-13(17)5-7-15-9-11-16(12-10-15)8-6-14(18)20-4-2/h3-12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H26N2O4
Molecular Weight 286.19
AlogP 0.51
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 8.0
Polar Surface Area 59.08
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 42434-17-3
NORMAN SUSDAT
PubChem 1104845
ChemSpider 941541.0