Molecule ID: mol13951
SMILES: CC(=O)CC(=S)Nc1ccccc1
InChI: InChI=1S/C10H11NOS/c1-8(12)7-10(13)11-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.50 | Datawarrior | 0 » -1 |
| 7.50 | OCHEM | 0 » -1 |
| 8.58 | QSARToolbox | 0 » -1 |