Molecule ID: mol36257

SMILES: CN(C)c1cc(CN(CC(=O)O)CC(=O)O)nc(CN(CC(=O)O)CC(=O)O)c1

InChI: InChI=1S/C17H24N4O8/c1-19(2)13-3-11(5-20(7-14(22)23)8-15(24)25)18-12(4-13)6-21(9-16(26)27)10-17(28)29/h3-4H,5-10H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)(H,28,29)

Experimental Macro pKa Values

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