Molecule ID: mol37069

SMILES: COc1cc(/C=C/C(O)=CC(=O)/C=C/c2ccccc2)ccc1O

InChI: InChI=1S/C20H18O4/c1-24-20-13-16(9-12-19(20)23)8-11-18(22)14-17(21)10-7-15-5-3-2-4-6-15/h2-14,22-23H,1H3/b10-7+,11-8+,18-14?

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
12.70 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization