Molecule ID: mol12932

SMILES: Cc1ccc(C(=O)S)cc1

InChI: InChI=1S/C8H8OS/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization