Molecule ID: mol27301

SMILES: CCOC(=O)C(C#N)C(C#N)(CC)c1ccccc1

InChI: InChI=1S/C15H16N2O2/c1-3-15(11-17,12-8-6-5-7-9-12)13(10-16)14(18)19-4-2/h5-9,13H,3-4H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization