Molecule ID: mol12129

SMILES: Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccccc3)c(O)c12

InChI: InChI=1S/C16H13N3O7S2/c17-12-8-11(27(21,22)23)6-9-7-13(28(24,25)26)15(16(20)14(9)12)19-18-10-4-2-1-3-5-10/h1-8,20H,17H2,(H,21,22,23)(H,24,25,26)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
12.72 IUPAC digitized pKa -2 » -3
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Charge States and Microspecies Visualization