Molecule ID: mol30900

SMILES: Cc1ccc(O)c(/N=N/c2ccc(S(=O)(=O)O)cc2)c1

InChI: InChI=1S/C13H12N2O4S/c1-9-2-7-13(16)12(8-9)15-14-10-3-5-11(6-4-10)20(17,18)19/h2-8,16H,1H3,(H,17,18,19)/b15-14+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization