Molecule ID: mol23381

SMILES: COc1ccc(/C=C(\C)C(=O)O)cc1

InChI: InChI=1S/C11H12O3/c1-8(11(12)13)7-9-3-5-10(14-2)6-4-9/h3-7H,1-2H3,(H,12,13)/b8-7+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization