Molecule ID: mol30662

SMILES: CC(C)OC(=O)c1cc(O)c(O)c(O)c1

InChI: InChI=1S/C10H12O5/c1-5(2)15-10(14)6-3-7(11)9(13)8(12)4-6/h3-5,11-13H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.89 AttenGpKa training set 0 » -1
10.90 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization