Molecule ID: mol18286

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(C(F)(F)F)ccc12

InChI: InChI=1S/C22H18F3N3O3S/c1-31-20-12-14(28-32(2,29)30)8-10-18(20)27-21-15-5-3-4-6-17(15)26-19-11-13(22(23,24)25)7-9-16(19)21/h3-12,28H,1-2H3,(H,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization