Molecule ID: mol35909

SMILES: CCOc1ccc(/C=C(\Br)C(=O)C(=O)O)cc1

InChI: InChI=1S/C12H11BrO4/c1-2-17-9-5-3-8(4-6-9)7-10(13)11(14)12(15)16/h3-7H,2H2,1H3,(H,15,16)/b10-7-

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.72 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization