Molecule ID: mol31300

SMILES: COc1cc(/C=C/C(=O)c2cccc(=O)c(O)c2)cc(OC)c1OC

InChI: InChI=1S/C19H18O6/c1-23-17-9-12(10-18(24-2)19(17)25-3)7-8-14(20)13-5-4-6-15(21)16(22)11-13/h4-11H,1-3H3,(H,21,22)/b8-7+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization