Molecule ID: mol11989
SMILES: CC(C)(C)c1cc(S(=O)(=O)O)cc(C(C)(C)C)c1O
InChI: InChI=1S/C14H22O4S/c1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6/h7-8,15H,1-6H3,(H,16,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.40 | IUPAC digitized pKa | -1 » -2 |
| 10.40 | AttenGpKa training set | -1 » -2 |