Molecule ID: mol4016
SMILES: Nc1cccnn1
InChI: InChI=1S/C4H5N3/c5-4-2-1-3-6-7-4/h1-3H,(H2,5,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.19 | Datawarrior | 1 » 0 |
| 5.19 | OCHEM | 1 » 0 |
| 5.19 | AttenGpKa training set | 1 » 0 |
| 5.19 | QSARToolbox | 1 » 0 |
| 5.19 | QSARToolbox | 1 » 0 |
| 5.19 | OCHEM | 1 » 0 |