Molecule ID: mol36804

SMILES: O=C(O)CN1CCN(CC(=O)O)CCN(CC(O)CO)CCN(CC(=O)O)CC1

InChI: InChI=1S/C17H32N4O8/c22-13-14(23)9-18-1-3-19(10-15(24)25)5-7-21(12-17(28)29)8-6-20(4-2-18)11-16(26)27/h14,22-23H,1-13H2,(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
4.40 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization