Molecule ID: mol13938
SMILES: COC(=O)c1cccc(NC=S)c1
InChI: InChI=1S/C9H9NO2S/c1-12-9(11)7-3-2-4-8(5-7)10-6-13/h2-6H,1H3,(H,10,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.81 | Datawarrior | 0 » -1 |
| 10.81 | OCHEM | 0 » -1 |
| 10.81 | QSARToolbox | 0 » -1 |