Molecule ID: mol38106

SMILES: O=C(O)CN(CCN(CC(=O)O)Cc1ccccc1O)Cc1ccccc1O

InChI: InChI=1S/C20H24N2O6/c23-17-7-3-1-5-15(17)11-21(13-19(25)26)9-10-22(14-20(27)28)12-16-6-2-4-8-18(16)24/h1-8,23-24H,9-14H2,(H,25,26)(H,27,28)

Experimental Macro pKa Values

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