Molecule ID: mol31295

SMILES: CC(C)c1cc(Br)cc(Br)c(O)c1=O

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization