Molecule ID: mol37572

SMILES: O=S(=O)(O)c1ccc(O)c(CNCCNCc2cc(S(=O)(=O)O)ccc2O)c1

InChI: InChI=1S/C16H20N2O8S2/c19-15-3-1-13(27(21,22)23)7-11(15)9-17-5-6-18-10-12-8-14(28(24,25)26)2-4-16(12)20/h1-4,7-8,17-20H,5-6,9-10H2,(H,21,22,23)(H,24,25,26)

Experimental Macro pKa Values

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