Molecule ID: mol23052

SMILES: COC(=O)c1ccc(OC)c(OC)c1C(=O)O

InChI: InChI=1S/C11H12O6/c1-15-7-5-4-6(11(14)17-3)8(10(12)13)9(7)16-2/h4-5H,1-3H3,(H,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization