Molecule ID: mol12989
SMILES: CNC(=O)c1ccncc1
InChI: InChI=1S/C7H8N2O/c1-8-7(10)6-2-4-9-5-3-6/h2-5H,1H3,(H,8,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | QSARToolbox | 1 » 0 |
| 3.80 | Datawarrior | 1 » 0 |
| 3.80 | OCHEM | 1 » 0 |
| 3.80 | AttenGpKa training set | 1 » 0 |