Molecule ID: mol37922

SMILES: COc1ccccc1N/N=C1\C(=O)c2ccc(S(=O)(=O)O)cc2C=C1S(=O)(=O)O

InChI: InChI=1S/C17H14N2O8S2/c1-27-14-5-3-2-4-13(14)18-19-16-15(29(24,25)26)9-10-8-11(28(21,22)23)6-7-12(10)17(16)20/h2-9,18H,1H3,(H,21,22,23)(H,24,25,26)/b19-16-

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
12.50 QSARToolbox -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization