Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S6O9AIU3WG
EPA CompTox DTXSID2064656

Structure

InChI Key LHZGEGQZBPULEQ-UHFFFAOYSA-N
Smiles COCN1COCN(COC)C1=O
InChI
InChI=1S/C7H14N2O4/c1-11-3-8-5-13-6-9(4-12-2)7(8)10/h3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14N2O4
Molecular Weight 190.1
AlogP -0.14
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 51.24
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 7388-44-5
NORMAN SUSDAT
FDA SRS S6O9AIU3WG
PubChem 81870
ChemSpider 73879.0