Molecule ID: mol9342

SMILES: COC(=O)C(C#N)C#N

InChI: InChI=1S/C5H4N2O2/c1-9-5(8)4(2-6)3-7/h4H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.80 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization