Molecule ID: mol16186

SMILES: N[C@H]1C[C@@H](N2Cc3cnc(C(F)(F)F)nc3C2)CC[C@@H]1c1cc(F)c(F)cc1F

InChI: InChI=1S/C19H18F6N4/c20-13-5-15(22)14(21)4-12(13)11-2-1-10(3-16(11)26)29-7-9-6-27-18(19(23,24)25)28-17(9)8-29/h4-6,10-11,16H,1-3,7-8,26H2/t10-,11+,16-/m0/s1

Experimental Macro pKa Values

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