Molecule ID: mol27351

SMILES: CCOC(=O)C(C#N)C(C#N)(c1ccccc1)c1ccc(C)cc1

InChI: InChI=1S/C20H18N2O2/c1-3-24-19(23)18(13-21)20(14-22,16-7-5-4-6-8-16)17-11-9-15(2)10-12-17/h4-12,18H,3H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.43 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization