Molecule ID: mol35873

SMILES: CCOC(=O)/C=C/c1cc(Br)c(O)c(Br)c1O

InChI: InChI=1S/C11H10Br2O4/c1-2-17-8(14)4-3-6-5-7(12)11(16)9(13)10(6)15/h3-5,15-16H,2H2,1H3/b4-3+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.00 QSARToolbox 0 » -1
8.40 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization