Molecule ID: mol4288
SMILES: c1nc[nH]n1
InChI: InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.19 | Baltruschat ChEMBL | 1 » 0 |
| 2.19 | Baltruschat ChEMBL | 1 » 0 |
| 2.45 | AttenGpKa training set | 1 » 0 |
| 2.50 | Datawarrior | 1 » 0 |
| 2.50 | OCHEM | 1 » 0 |
| 2.50 | QSARToolbox | 1 » 0 |
| 2.51 | QSARToolbox | 1 » 0 |
| 9.59 | QSARToolbox | 0 » -1 |
| 10.18 | AttenGpKa training set | 0 » -1 |
| 10.26 | Baltruschat ChEMBL | 0 » -1 |