Molecule ID: mol37968

SMILES: O=C1/C(=N\Nc2ccccc2S(=O)(=O)O)C(S(=O)(=O)O)=Cc2cc(S(=O)(=O)O)ccc21

InChI: InChI=1S/C16H12N2O10S3/c19-16-11-6-5-10(29(20,21)22)7-9(11)8-14(31(26,27)28)15(16)18-17-12-3-1-2-4-13(12)30(23,24)25/h1-8,17H,(H,20,21,22)(H,23,24,25)(H,26,27,28)/b18-15-

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
13.20 QSARToolbox -3 » -4
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Charge States and Microspecies Visualization