Molecule ID: mol36500

SMILES: CN1CCCNCc2ccc3ccc4ccc(nc4c3n2)CNCCC1

InChI: InChI=1S/C21H27N5/c1-26-12-2-10-22-14-18-8-6-16-4-5-17-7-9-19(15-23-11-3-13-26)25-21(17)20(16)24-18/h4-9,22-23H,2-3,10-15H2,1H3

Experimental Macro pKa Values

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