Molecule ID: mol31164

SMILES: O=c1ccccc(S)c1O

InChI: InChI=1S/C7H6O2S/c8-5-3-1-2-4-6(10)7(5)9/h1-4H,(H2,8,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization