Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID8066472

Structure

InChI Key XQGHEXBVXWBMGC-UHFFFAOYSA-N
Smiles CC(=O)OCCN(CCOC(=O)C)c1ccccc1
InChI
InChI=1S/C14H19NO4/c1-12(16)18-10-8-15(9-11-19-13(2)17)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H19N1O4
Molecular Weight 265.13
AlogP 1.62
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 7.0
Polar Surface Area 55.84
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 19249-34-4
NORMAN SUSDAT
PubChem 29521
ChemSpider 27444.0