Molecule ID: mol34389

SMILES: COc1ccc(CNCCN(Cc2ccccn2)Cc2ccccn2)cc1OC

InChI: InChI=1S/C23H28N4O2/c1-28-22-10-9-19(15-23(22)29-2)16-24-13-14-27(17-20-7-3-5-11-25-20)18-21-8-4-6-12-26-21/h3-12,15,24H,13-14,16-18H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.08 QSARToolbox 3 » 2
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Charge States and Microspecies Visualization