Molecule ID: mol10767

SMILES: O=C(O)CS(=O)(=O)c1ccc(Br)cc1

InChI: InChI=1S/C8H7BrO4S/c9-6-1-3-7(4-2-6)14(12,13)5-8(10)11/h1-4H,5H2,(H,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.52 IUPAC digitized pKa 0 » -1
2.52 OCHEM 0 » -1
2.52 AttenGpKa training set 0 » -1
2.52 QSARToolbox 0 » -1
2.52 QSARToolbox 0 » -1
2.52 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization