Molecule ID: mol36138

SMILES: O=C(O)CN(CC(=O)O)Cc1ccccc1/C=C/c1ccccc1CN(CC(=O)O)CC(=O)O

InChI: InChI=1S/C24H26N2O8/c27-21(28)13-25(14-22(29)30)11-19-7-3-1-5-17(19)9-10-18-6-2-4-8-20(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)/b10-9+

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