Molecule ID: mol30862

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

InChI: InChI=1S/C18H12O3/c19-15-11-14(12-7-3-1-4-8-12)17(20)16(18(15)21)13-9-5-2-6-10-13/h1-11,21H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization