Molecule ID: mol23671

SMILES: O=C(O)/C=C/S(=O)(=O)c1ccc(Br)cc1

InChI: InChI=1S/C9H7BrO4S/c10-7-1-3-8(4-2-7)15(13,14)6-5-9(11)12/h1-6H,(H,11,12)/b6-5+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization