Molecule ID: mol36135

SMILES: O=C(O)CN(CC(=O)O)Cc1cccc(-c2cccc(CN(CC(=O)O)CC(=O)O)n2)n1

InChI: InChI=1S/C20H22N4O8/c25-17(26)9-23(10-18(27)28)7-13-3-1-5-15(21-13)16-6-2-4-14(22-16)8-24(11-19(29)30)12-20(31)32/h1-6H,7-12H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.30 QSARToolbox -2 » -3
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Charge States and Microspecies Visualization