Molecule ID: mol10613

SMILES: O=C(O)C[S+]([O-])c1ccccc1

InChI: InChI=1S/C8H8O3S/c9-8(10)6-12(11)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.67 QSARToolbox 0 » -1
2.67 QSARToolbox 0 » -1
2.70 AttenGpKa training set 0 » -1
2.73 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization