Molecule ID: mol12309

SMILES: O=C(O)c1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc([N+](=O)[O-])cc3)c(O)c2c1O

InChI: InChI=1S/C23H15N5O12S2/c29-21-18-11(9-16(41(35,36)37)19(21)26-24-12-5-7-13(8-6-12)28(33)34)10-17(42(38,39)40)20(22(18)30)27-25-15-4-2-1-3-14(15)23(31)32/h1-10,29-30H,(H,31,32)(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 -4 » -5
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization