Molecule ID: mol22228

SMILES: CC(C)(S)C(=O)O

InChI: InChI=1S/C4H8O2S/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.90 AttenGpKa training set 0 » -1
11.32 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization