Molecule ID: mol36169

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

InChI: InChI=1S/C21H31N5O8/c27-18(28)12-23-4-5-24(13-19(29)30)7-9-26(15-21(33)34)11-17-3-1-2-16(22-17)10-25(8-6-23)14-20(31)32/h1-3H,4-15H2,(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
4.20 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization