Molecule ID: mol16031
SMILES: C[n+]1ccsc1N
InChI: InChI=1S/C4H6N2S/c1-6-2-3-7-4(6)5/h2-3,5H,1H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.45 | QSARToolbox | 1 » 0 |
| 9.65 | OCHEM | 1 » 0 |
| 9.65 | Datawarrior | 1 » 0 |
| 9.65 | AttenGpKa training set | 1 » 0 |