Molecule ID: mol11026

SMILES: Cc1ccc([S+]([O-])CC(=O)O)cc1

InChI: InChI=1S/C9H10O3S/c1-7-2-4-8(5-3-7)13(12)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization