Molecule ID: mol22985

SMILES: CC(=O)Oc1c(C(=O)O)cccc1C(=O)O

InChI: InChI=1S/C10H8O6/c1-5(11)16-8-6(9(12)13)3-2-4-7(8)10(14)15/h2-4H,1H3,(H,12,13)(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization