Molecule ID: mol36149

SMILES: O=C(O)CN(CCN(CC(=O)O)CC(=O)NCc1ccccc1)CCN(CC(=O)O)CC(=O)NCc1ccccc1

InChI: InChI=1S/C28H37N5O8/c34-24(29-15-22-7-3-1-4-8-22)17-32(20-27(38)39)13-11-31(19-26(36)37)12-14-33(21-28(40)41)18-25(35)30-16-23-9-5-2-6-10-23/h1-10H,11-21H2,(H,29,34)(H,30,35)(H,36,37)(H,38,39)(H,40,41)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.54 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization