Molecule ID: mol14873
SMILES: Cc1ccc(S(=O)(=O)NC(=O)OC(C)(C)C)cc1
InChI: InChI=1S/C12H17NO4S/c1-9-5-7-10(8-6-9)18(15,16)13-11(14)17-12(2,3)4/h5-8H,1-4H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.05 | Datawarrior | 0 » -1 |
| 5.05 | AttenGpKa training set | 0 » -1 |
| 5.05 | QSARToolbox | 0 » -1 |
| 5.05 | OCHEM | 0 » -1 |