Molecule ID: mol36166

SMILES: O=C(O)CN1CCN(CC(=O)O)CC(=O)N(Cc2ccccc2)CCN(Cc2ccccc2)C(=O)C1

InChI: InChI=1S/C26H32N4O6/c31-23-17-27(19-25(33)34)11-12-28(20-26(35)36)18-24(32)30(16-22-9-5-2-6-10-22)14-13-29(23)15-21-7-3-1-4-8-21/h1-10H,11-20H2,(H,33,34)(H,35,36)

Experimental Macro pKa Values

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