Molecule ID: mol21307

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(C(F)(F)F)c(N)cc12

InChI: InChI=1S/C22H19F3N4O3S/c1-32-20-9-12(29-33(2,30)31)7-8-18(20)28-21-13-5-3-4-6-17(13)27-19-11-15(22(23,24)25)16(26)10-14(19)21/h3-11,29H,26H2,1-2H3,(H,27,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization