Molecule ID: mol37963

SMILES: O=S(=O)(O)Cc1ccc(CNCCN(Cc2ccccn2)Cc2ccccn2)cc1

InChI: InChI=1S/C22H26N4O3S/c27-30(28,29)18-20-9-7-19(8-10-20)15-23-13-14-26(16-21-5-1-3-11-24-21)17-22-6-2-4-12-25-22/h1-12,23H,13-18H2,(H,27,28,29)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.09 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization