Molecule ID: mol15843
SMILES: Nc1cc[nH]n1
InChI: InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | AttenGpKa training set | 1 » 0 |
| 4.10 | QSARToolbox | 1 » 0 |
| 4.11 | Datawarrior | 1 » 0 |
| 4.11 | OCHEM | 1 » 0 |
| 4.11 | QSARToolbox | 1 » 0 |
| 4.28 | AttenGpKa training set | 1 » 0 |
| 4.60 | AttenGpKa training set | 1 » 0 |