Molecule ID: mol31301

SMILES: COc1cc(/C=C/C(=O)c2ccc(O)c(=O)cc2)cc(OC)c1OC

InChI: InChI=1S/C19H18O6/c1-23-17-10-12(11-18(24-2)19(17)25-3)4-7-14(20)13-5-8-15(21)16(22)9-6-13/h4-11H,1-3H3,(H,21,22)/b7-4+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization