Molecule ID: mol16187

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

InChI: InChI=1S/C18H16F6N4O/c19-11-3-13(21)12(20)2-10(11)16-14(25)1-9(7-29-16)28-5-8-4-26-17(18(22,23)24)27-15(8)6-28/h2-4,9,14,16H,1,5-7,25H2/t9-,14+,16-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.30 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization