Keyword(s): Human Metabolites
Molecule Category Free-form
UNII I96A01798W
EPA CompTox DTXSID2059695

Structure

InChI Key KVEDKKLZCJBVNP-UHFFFAOYSA-N
Smiles CC(=O)Nc1ccc(NC(=O)C)cc1
InChI
InChI=1S/C10H12N2O2/c1-7(13)11-9-3-5-10(6-4-9)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12N2O2
Molecular Weight 192.09
AlogP 2.9
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 65.18
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 140-50-1
NORMAN SUSDAT
FDA SRS I96A01798W
PubChem 67324
ChemSpider 60655.0