Molecule ID: mol13896
SMILES: CC(=O)c1cccc(NC(N)=S)c1
InChI: InChI=1S/C9H10N2OS/c1-6(12)7-3-2-4-8(5-7)11-9(10)13/h2-5H,1H3,(H3,10,11,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.10 | Datawarrior | 0 » -1 |
| 12.10 | OCHEM | 0 » -1 |
| 12.10 | AttenGpKa training set | 0 » -1 |
| 12.10 | QSARToolbox | 0 » -1 |