Molecule ID: mol11209

SMILES: COc1ccc(C=O)c(C(=O)O)c1OC

InChI: InChI=1S/C10H10O5/c1-14-7-4-3-6(5-11)8(10(12)13)9(7)15-2/h3-5H,1-2H3,(H,12,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.05 AttenGpKa training set 0 » -1
3.06 IUPAC digitized pKa 0 » -1
3.07 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization