Molecule ID: mol13002

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

InChI: InChI=1S/C7H7N2O/c1-6-4-7(5-8)2-3-9(6)10/h2-4,10H,1H3/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.67 OCHEM 1 » 0
-0.67 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization