Molecule ID: mol34901

SMILES: CC1(C)CN(CC(=O)O)CCN(CC(=O)O)CC(C)(C)CN(CC(=O)O)CCN(CC(=O)O)C1

InChI: InChI=1S/C22H40N4O8/c1-21(2)13-23(9-17(27)28)5-7-25(11-19(31)32)15-22(3,4)16-26(12-20(33)34)8-6-24(14-21)10-18(29)30/h5-16H2,1-4H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)

Experimental Macro pKa Values

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