Molecule ID: mol35039

SMILES: CC(C)(C)c1cc(/N=N/c2cccc3c(S(=O)(=O)O)cccc23)ccc1O

InChI: InChI=1S/C20H20N2O4S/c1-20(2,3)16-12-13(10-11-18(16)23)21-22-17-8-4-7-15-14(17)6-5-9-19(15)27(24,25)26/h4-12,23H,1-3H3,(H,24,25,26)/b22-21+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.90 QSARToolbox -1 » -2
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Charge States and Microspecies Visualization