Molecule ID: mol14105

SMILES: COc1ccc(C(=O)S)cc1

InChI: InChI=1S/C8H8O2S/c1-10-7-4-2-6(3-5-7)8(9)11/h2-5H,1H3,(H,9,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization