Molecule ID: mol22772

SMILES: C[S+](C)c1ccccc1C(=O)O

InChI: InChI=1S/C9H10O2S/c1-12(2)8-6-4-3-5-7(8)9(10)11/h3-6H,1-2H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization