Molecule ID: mol12238

SMILES: CC(=O)Nc1c(N=Nc2ccccc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12

InChI: InChI=1S/C18H15N3O8S2/c1-10(22)19-18-16-11(7-13(9-14(16)23)30(24,25)26)8-15(31(27,28)29)17(18)21-20-12-5-3-2-4-6-12/h2-9,23H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29)

Experimental Macro pKa Values

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