Molecule ID: mol17293

SMILES: CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F

InChI: InChI=1S/C20H23F3N6O/c1-29(2)16-5-3-4-15(16)27-18-13(20(21,22)23)10-24-19(28-18)25-12-6-7-14-11(8-12)9-17(30)26-14/h6-8,10,15-16H,3-5,9H2,1-2H3,(H,26,30)(H2,24,25,27,28)/t15-,16-/m1/s1

Experimental Macro pKa Values

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