Molecule ID: mol36168

SMILES: O=C(O)CN1CCN(CC(=O)O)Cc2cccc(n2)CN(CC(=O)O)CC1

InChI: InChI=1S/C17H24N4O6/c22-15(23)10-19-4-6-20(11-16(24)25)8-13-2-1-3-14(18-13)9-21(7-5-19)12-17(26)27/h1-3H,4-12H2,(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
4.40 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization