Molecule ID: mol34443

SMILES: CCOC(=O)C(Cc1ccc(C#N)cc1)C(C)=O

InChI: InChI=1S/C14H15NO3/c1-3-18-14(17)13(10(2)16)8-11-4-6-12(9-15)7-5-11/h4-7,13H,3,8H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
11.20 QSARToolbox 0 » -1
11.23 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization