Molecule ID: mol15808
SMILES: Oc1cc2cccnc2c2cccnc12
InChI: InChI=1S/C12H8N2O/c15-10-7-8-3-1-5-13-11(8)9-4-2-6-14-12(9)10/h1-7,15H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.90 | Datawarrior | 1 » 0 |
| 3.90 | AttenGpKa training set | 1 » 0 |
| 3.90 | QSARToolbox | 1 » 0 |
| 3.90 | OCHEM | 1 » 0 |
| 8.50 | Datawarrior | 0 » -1 |
| 8.50 | OCHEM | 0 » -1 |
| 8.50 | AttenGpKa training set | 0 » -1 |