Molecule ID: mol36126

SMILES: O=C(O)CN(CC(=O)O)CC(CN(CC(=O)O)CC(=O)O)(CN(CC(=O)O)CC(=O)O)c1ccccc1

InChI: InChI=1S/C22H29N3O12/c26-16(27)6-23(7-17(28)29)12-22(15-4-2-1-3-5-15,13-24(8-18(30)31)9-19(32)33)14-25(10-20(34)35)11-21(36)37/h1-5H,6-14H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
11.17 QSARToolbox -5 » -6
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Charge States and Microspecies Visualization