Molecule ID: mol34566

SMILES: c1ccc2[nH]c(CN3CCNCCN(Cc4nc5ccccc5[nH]4)CC3)nc2c1

InChI: InChI=1S/C22H27N7/c1-2-6-18-17(5-1)24-21(25-18)15-28-11-9-23-10-12-29(14-13-28)16-22-26-19-7-3-4-8-20(19)27-22/h1-8,23H,9-16H2,(H,24,25)(H,26,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.90 QSARToolbox 4 » 3
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Charge States and Microspecies Visualization