Molecule ID: mol38083

SMILES: COc1ccccc1N1CCN(CCNCC(O)CON=C(C2CC2)C2CC2)CC1

InChI: InChI=1S/C23H36N4O3/c1-29-22-5-3-2-4-21(22)27-14-12-26(13-15-27)11-10-24-16-20(28)17-30-25-23(18-6-7-18)19-8-9-19/h2-5,18-20,24,28H,6-17H2,1H3

Experimental Macro pKa Values

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