Molecule ID: mol33969

SMILES: CN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc(O)cc6)[nH]c5c4)[nH]c3c2)CC1

InChI: InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
11.69 QSARToolbox -1 » -2
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Charge States and Microspecies Visualization