Molecule ID: mol17292

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

InChI: InChI=1S/C19H23F3N6O2S/c1-28(2)16-5-3-4-15(16)25-17-13(19(20,21)22)9-23-18(26-17)24-12-6-7-14-11(8-12)10-31(29,30)27-14/h6-9,15-16,27H,3-5,10H2,1-2H3,(H2,23,24,25,26)/t15-,16-/m1/s1

Experimental Macro pKa Values

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