Molecule ID: mol37967

SMILES: O=C1/C(=N\Nc2ccccc2Cl)C(S(=O)(=O)O)=Cc2cc(S(=O)(=O)O)ccc21

InChI: InChI=1S/C16H11ClN2O7S2/c17-12-3-1-2-4-13(12)18-19-15-14(28(24,25)26)8-9-7-10(27(21,22)23)5-6-11(9)16(15)20/h1-8,18H,(H,21,22,23)(H,24,25,26)/b19-15-

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
11.70 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization