Molecule ID: mol12126

SMILES: O=S(=O)(O)c1cc(O)c2c(O)c(N=Nc3ccccc3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1

InChI: InChI=1S/C16H12N2O11S3/c19-11-7-9(30(21,22)23)5-8-6-13(32(27,28)29)15(16(20)14(8)11)18-17-10-3-1-2-4-12(10)31(24,25)26/h1-7,19-20H,(H,21,22,23)(H,24,25,26)(H,27,28,29)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.35 IUPAC digitized pKa -4 » -5
9.76 IUPAC digitized pKa -4 » -5
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization