Molecule ID: mol34314

SMILES: O=C1C=C(Sc2ccc(Cl)cc2)C(=O)C=C1O

InChI: InChI=1S/C12H7ClO3S/c13-7-1-3-8(4-2-7)17-12-6-10(15)9(14)5-11(12)16/h1-6,14H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization