Molecule ID: mol13579

SMILES: O=C1CC(=O)C[S+]([O-])C1

InChI: InChI=1S/C5H6O3S/c6-4-1-5(7)3-9(8)2-4/h1-3H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization