Molecule ID: mol14182

SMILES: Cc1cc(C#N)cc(C)[n+]1O

InChI: InChI=1S/C8H9N2O/c1-6-3-8(5-9)4-7(2)10(6)11/h3-4,11H,1-2H3/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.61 OCHEM 1 » 0
-0.61 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization