Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8U10GC2V6Y

Structure

InChI Key WLMMDVSGDYEVAD-UHFFFAOYSA-N
Smiles COc1ccc(cn1)C(=O)N2CCCC2=O
InChI
InChI=1S/C11H12N2O3/c1-16-9-5-4-8(7-12-9)11(15)13-6-2-3-10(13)14/h4-5,7H,2-3,6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H12N2O3
Molecular Weight 220.08
AlogP 0.85
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 59.5
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 128326-80-7
NORMAN SUSDAT
FDA SRS 8U10GC2V6Y