Molecule ID: mol13287
SMILES: CC(=O)CC(=S)Nc1ccc(C)cc1
InChI: InChI=1S/C11H13NOS/c1-8-3-5-10(6-4-8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.65 | Datawarrior | 0 » -1 |
| 7.65 | OCHEM | 0 » -1 |
| 8.73 | QSARToolbox | 0 » -1 |