Molecule ID: mol12670

SMILES: Cc1ccc(S(N)(=O)=O)cc1C

InChI: InChI=1S/C8H11NO2S/c1-6-3-4-8(5-7(6)2)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization