Molecule ID: mol22883

SMILES: O=C(O)c1ccc(O)c2c(O)cccc12

InChI: InChI=1S/C11H8O4/c12-8-3-1-2-6-7(11(14)15)4-5-9(13)10(6)8/h1-5,12-13H,(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization