Molecule ID: mol36179

SMILES: O=C(O)CNC(=O)c1ccc(NC(=O)CN(CC(=O)O)CC(=O)O)cc1

InChI: InChI=1S/C15H17N3O8/c19-11(6-18(7-13(22)23)8-14(24)25)17-10-3-1-9(2-4-10)15(26)16-5-12(20)21/h1-4H,5-8H2,(H,16,26)(H,17,19)(H,20,21)(H,22,23)(H,24,25)

Experimental Macro pKa Values

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