Molecule ID: mol12312

SMILES: O=C(O)c1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3cccc(S(=O)(=O)O)c3)c(O)c2c1O

InChI: InChI=1S/C23H16N4O13S3/c28-21-18-11(8-16(42(35,36)37)19(21)26-24-12-4-3-5-13(10-12)41(32,33)34)9-17(43(38,39)40)20(22(18)29)27-25-15-7-2-1-6-14(15)23(30)31/h1-10,28-29H,(H,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.45 IUPAC digitized pKa -5 » -6
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Charge States and Microspecies Visualization