Molecule ID: mol19435

SMILES: CS(=O)(=O)c1ccc(-c2cnc(Br)n2-c2ccc(F)c(F)c2)cc1

InChI: InChI=1S/C16H11BrF2N2O2S/c1-24(22,23)12-5-2-10(3-6-12)15-9-20-16(17)21(15)11-4-7-13(18)14(19)8-11/h2-9H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization