Molecule ID: mol31130

SMILES: O=C1SCC(O)=C1O

InChI: InChI=1S/C4H4O3S/c5-2-1-8-4(7)3(2)6/h5-6H,1H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization