Molecule ID: mol30640

SMILES: O=C1C=C(c2ccccc2)C(=O)C=C1O

InChI: InChI=1S/C12H8O3/c13-10-7-12(15)11(14)6-9(10)8-4-2-1-3-5-8/h1-7,15H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization