Molecule ID: mol2198

SMILES: CC(C)c1cc(O)c(=O)c(Br)cc1Br

InChI: InChI=1S/C10H10Br2O2/c1-5(2)6-3-9(13)10(14)8(12)4-7(6)11/h3-5H,1-2H3,(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization