Molecule ID: mol36131

SMILES: O=C(O)CN(CC(=O)O)Cc1ccc(-c2cccc3cccc(-c4cccc(CN(CC(=O)O)CC(=O)O)c4)c23)cc1

InChI: InChI=1S/C32H30N2O8/c35-28(36)17-33(18-29(37)38)15-21-10-12-23(13-11-21)26-8-2-5-24-6-3-9-27(32(24)26)25-7-1-4-22(14-25)16-34(19-30(39)40)20-31(41)42/h1-14H,15-20H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.30 QSARToolbox -1 » -2
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Charge States and Microspecies Visualization