Molecule ID: mol30642

SMILES: O=Cc1cc(S(=O)(=O)O)ccc1O

InChI: InChI=1S/C7H6O5S/c8-4-5-3-6(13(10,11)12)1-2-7(5)9/h1-4,9H,(H,10,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization