Molecule ID: mol34312

SMILES: O=C1C=C(Sc2ccccc2)C(=O)C=C1O

InChI: InChI=1S/C12H8O3S/c13-9-6-11(15)12(7-10(9)14)16-8-4-2-1-3-5-8/h1-7,13H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.58 QSARToolbox 0 » -1
3.58 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization