Molecule ID: mol35686

SMILES: Cc1ccc(S(=O)(=O)Oc2ccc3cc(S(=O)(=O)O)cc(O)c3c2)cc1

InChI: InChI=1S/C17H14O7S2/c1-11-2-6-14(7-3-11)26(22,23)24-13-5-4-12-8-15(25(19,20)21)10-17(18)16(12)9-13/h2-10,18H,1H3,(H,19,20,21)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.70 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization