Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID1071458

Structure

InChI Key HSOJAZLHMOYNJP-UHFFFAOYSA-N
Smiles COCCOc1ccc(NC(=O)C)cc1N
InChI
InChI=1S/C11H16N2O3/c1-8(14)13-9-3-4-11(10(12)7-9)16-6-5-15-2/h3-4,7H,5-6,12H2,1-2H3,(H,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H16N2O3
Molecular Weight 224.12
AlogP 1.9
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 77.07
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 68385-79-5
NORMAN SUSDAT
PubChem 110089
ChemSpider 98868.0