Molecule ID: mol34797

SMILES: CC(NC(=O)CN(CCN(CC(=O)O)CC(=O)NC(C)c1ccccc1)CC(=O)O)c1ccccc1

InChI: InChI=1S/C26H34N4O6/c1-19(21-9-5-3-6-10-21)27-23(31)15-29(17-25(33)34)13-14-30(18-26(35)36)16-24(32)28-20(2)22-11-7-4-8-12-22/h3-12,19-20H,13-18H2,1-2H3,(H,27,31)(H,28,32)(H,33,34)(H,35,36)

Experimental Macro pKa Values

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