Molecule ID: mol18280

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccc(F)cc12

InChI: InChI=1S/C21H18FN3O3S/c1-28-20-12-14(25-29(2,26)27)8-10-19(20)24-21-15-5-3-4-6-17(15)23-18-9-7-13(22)11-16(18)21/h3-12,25H,1-2H3,(H,23,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization