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

Structure

InChI Key HAHZVQOXFHJPOX-WAYWQWQTSA-N
Smiles O=C(OCCN(C)C)C=CC(=O)OCCN(C)C
InChI
InChI=1/C12H22N2O4/c1-13(2)7-9-17-11(15)5-6-12(16)18-10-8-14(3)4/h5-6H,7-10H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H22N2O4
Molecular Weight 258.16
AlogP -0.25
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 8.0
Polar Surface Area 59.08
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 86178-63-4
NORMAN SUSDAT
PubChem 6432976