Molecule ID: mol34347

SMILES: CN(O)C(=O)c1ccc(C#N)cc1

InChI: InChI=1S/C9H8N2O2/c1-11(13)9(12)8-4-2-7(6-10)3-5-8/h2-5,13H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization