Molecule ID: mol13201
SMILES: On1nnc2ccccc21
InChI: InChI=1S/C6H5N3O/c10-9-6-4-2-1-3-5(6)7-8-9/h1-4,10H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.06 | AttenGpKa training set | 1 » 0 |
| 4.45 | AttenGpKa training set | 0 » -1 |
| 4.60 | OCHEM | 0 » -1 |
| 4.60 | QSARToolbox | 0 » -1 |
| 4.60 | QSARToolbox | 0 » -1 |
| 4.60 | Datawarrior | 0 » -1 |