Molecule ID: mol23051

SMILES: COC(=O)c1c(C(=O)O)ccc(OC)c1OC

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization