Molecule ID: mol13937
SMILES: COC(=O)c1ccc(NC=S)cc1
InChI: InChI=1S/C9H9NO2S/c1-12-9(11)7-2-4-8(5-3-7)10-6-13/h2-6H,1H3,(H,10,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.95 | QSARToolbox | 0 » -1 |
| 10.95 | Datawarrior | 0 » -1 |
| 10.95 | OCHEM | 0 » -1 |