Molecule ID: mol36132

SMILES: O=C(O)CN(CC(=O)O)Cc1ccc(/C=C/c2ccc(CN(CC(=O)O)CC(=O)O)cc2)cc1

InChI: InChI=1S/C24H26N2O8/c27-21(28)13-25(14-22(29)30)11-19-7-3-17(4-8-19)1-2-18-5-9-20(10-6-18)12-26(15-23(31)32)16-24(33)34/h1-10H,11-16H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34)/b2-1+

Experimental Macro pKa Values

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