Molecule ID: mol24755
SMILES: CNNC(=O)c1ccncc1
InChI: InChI=1S/C7H9N3O/c1-8-10-7(11)6-2-4-9-5-3-6/h2-5,8H,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.46 | AttenGpKa training set | 2 » 1 |
| 4.04 | AttenGpKa training set | 1 » 0 |
| 10.96 | AttenGpKa training set | 0 » -1 |