Molecule ID: mol9149

SMILES: COC(=O)C(C#N)[N+](=O)[O-]

InChI: InChI=1S/C4H4N2O4/c1-10-4(7)3(2-5)6(8)9/h3H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-5.20 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization