Molecule ID: mol12120

SMILES: O=S(=O)(O)c1ccc2c(N=Nc3ccccc3O)c(O)c(S(=O)(=O)O)cc2c1

InChI: InChI=1S/C16H12N2O8S2/c19-13-4-2-1-3-12(13)17-18-15-11-6-5-10(27(21,22)23)7-9(11)8-14(16(15)20)28(24,25)26/h1-8,19-20H,(H,21,22,23)(H,24,25,26)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.30 IUPAC digitized pKa -3 » -4
12.62 IUPAC digitized pKa -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization