Molecule ID: mol19084

SMILES: CN1CCN(CCCOc2ccc3c(c2)-c2[nH]nc(-c4ccc(C#N)nc4)c2C3)CC1

InChI: InChI=1S/C24H26N6O/c1-29-8-10-30(11-9-29)7-2-12-31-20-6-4-17-13-22-23(27-28-24(22)21(17)14-20)18-3-5-19(15-25)26-16-18/h3-6,14,16H,2,7-13H2,1H3,(H,27,28)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.10 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization