Molecule ID: mol13310
SMILES: CC(=O)NS(=O)(=O)c1ccc(C)cc1
InChI: InChI=1S/C9H11NO3S/c1-7-3-5-9(6-4-7)14(12,13)10-8(2)11/h3-6H,1-2H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.80 | Datawarrior | 0 » -1 |
| 4.80 | QSARToolbox | 0 » -1 |
| 4.80 | OCHEM | 0 » -1 |
| 4.92 | AttenGpKa training set | 0 » -1 |