Molecule ID: mol4198
SMILES: Oc1ncccn1
InChI: InChI=1S/C4H4N2O/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.15 | IUPAC digitized pKa | 1 » 0 |
| 2.15 | QSARToolbox | 1 » 0 |
| 2.24 | Datawarrior | 1 » 0 |
| 2.24 | OCHEM | 1 » 0 |
| 2.24 | AttenGpKa training set | 1 » 0 |
| 2.24 | QSARToolbox | 1 » 0 |
| 9.17 | Datawarrior | 0 » -1 |
| 9.17 | QSARToolbox | 0 » -1 |
| 9.17 | QSARToolbox | 0 » -1 |
| 9.17 | OCHEM | 0 » -1 |
| 9.19 | AttenGpKa training set | 0 » -1 |
| 9.20 | QSARToolbox | 0 » -1 |
| 9.20 | IUPAC digitized pKa | 0 » -1 |
| 9.20 | OCHEM | 0 » -1 |
| 9.20 | OCHEM | 0 » -1 |