Keyword(s): Human Metabolites
Molecule Category Free-form
UNII M82DZ6PVA8
EPA CompTox DTXSID90173292

Structure

InChI Key HVKZGWQNGBBGAB-UHFFFAOYSA-N
Smiles COC(=O)OCCN(CCOC(=O)OC)c1ccccc1
InChI
InChI=1S/C14H19NO6/c1-18-13(16)20-10-8-15(9-11-21-14(17)19-2)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H19N1O6
Molecular Weight 297.12
AlogP 2.06
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 7.0
Polar Surface Area 74.3
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 19619-23-9
NORMAN SUSDAT
FDA SRS M82DZ6PVA8
PubChem 88170
ChemSpider 79543.0