Molecule ID: mol22989

SMILES: COC(=O)c1cc(C(=O)O)ccc1C(=O)O

InChI: InChI=1S/C10H8O6/c1-16-10(15)7-4-5(8(11)12)2-3-6(7)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
2.59 AttenGpKa training set 0 » -1
4.00 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization