Molecule ID: mol22922

SMILES: Cc1cc(C(=O)O)c(C)c(C(=O)O)c1O

InChI: InChI=1S/C10H10O5/c1-4-3-6(9(12)13)5(2)7(8(4)11)10(14)15/h3,11H,1-2H3,(H,12,13)(H,14,15)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.78 AttenGpKa training set 0 » -1
8.54 AttenGpKa training set -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization