Molecule ID: mol19742

SMILES: N#Cc1cc(C(F)(F)F)ccc1N1CCOc2cc(S(=O)(=O)Nc3ccncn3)ccc21

InChI: InChI=1S/C20H14F3N5O3S/c21-20(22,23)14-1-3-16(13(9-14)11-24)28-7-8-31-18-10-15(2-4-17(18)28)32(29,30)27-19-5-6-25-12-26-19/h1-6,9-10,12H,7-8H2,(H,25,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization