Molecule ID: mol35403

SMILES: CCCCNCc1ccc2ccc3ccc(CNCCCC)nc3c2n1

InChI: InChI=1S/C22H30N4/c1-3-5-13-23-15-19-11-9-17-7-8-18-10-12-20(16-24-14-6-4-2)26-22(18)21(17)25-19/h7-12,23-24H,3-6,13-16H2,1-2H3

Experimental Macro pKa Values

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