Molecule ID: mol31236

SMILES: COC(=O)c1cccc(=O)c(O)c1C(=O)O

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization