Molecule ID: mol25898

SMILES: CC(C)c1ccc(C(=O)O)s1

InChI: InChI=1S/C8H10O2S/c1-5(2)6-3-4-7(11-6)8(9)10/h3-5H,1-2H3,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization