Molecule ID: mol2143
SMILES: Oc1cnccn1
InChI: InChI=1S/C4H4N2O/c7-4-3-5-1-2-6-4/h1-3H,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.10 | QSARToolbox | 1 » 0 |
| -0.10 | Datawarrior | 1 » 0 |
| -0.10 | OCHEM | 1 » 0 |
| -0.10 | AttenGpKa training set | 1 » 0 |
| 8.23 | OCHEM | 0 » -1 |
| 8.23 | QSARToolbox | 0 » -1 |
| 8.23 | Datawarrior | 0 » -1 |
| 8.23 | AttenGpKa training set | 0 » -1 |
| 8.23 | AttenGpKa training set | 0 » -1 |
| 8.25 | Hunt | 0 » -1 |
| 8.25 | QSARToolbox | 0 » -1 |