Molecule ID: mol26023

SMILES: Cc1cc(O)n(-c2ccc(S(=O)(=O)O)cc2)n1

InChI: InChI=1S/C10H10N2O4S/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16/h2-6,13H,1H3,(H,14,15,16)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.07 AttenGpKa training set 0 » -1
6.65 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization