Molecule ID: mol23352

SMILES: O=C(O)/C(S)=C/c1ccccc1

InChI: InChI=1S/C9H8O2S/c10-9(11)8(12)6-7-4-2-1-3-5-7/h1-6,12H,(H,10,11)/b8-6-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization