Molecule ID: mol37058

SMILES: COc1cc(CN(CC(=O)O)CC(=O)O)nc(CN(CC(=O)O)CC(=O)O)c1

InChI: InChI=1S/C16H21N3O9/c1-28-12-2-10(4-18(6-13(20)21)7-14(22)23)17-11(3-12)5-19(8-15(24)25)9-16(26)27/h2-3H,4-9H2,1H3,(H,20,21)(H,22,23)(H,24,25)(H,26,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.40 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization