Molecule ID: mol28810

SMILES: Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Br)cc2)cc1

InChI: InChI=1S/C14H13BrN2O3S/c1-10-2-8-13(9-3-10)21(19,20)17-14(18)16-12-6-4-11(15)5-7-12/h2-9H,1H3,(H2,16,17,18)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.90 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization