Molecule ID: mol30644

SMILES: Cc1cc(S(=O)(=O)O)cc(C)c1O

InChI: InChI=1S/C8H10O4S/c1-5-3-7(13(10,11)12)4-6(2)8(5)9/h3-4,9H,1-2H3,(H,10,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.50 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization