Molecule ID: mol14002
SMILES: Oc1ccc2cnncc2c1
InChI: InChI=1S/C8H6N2O/c11-8-2-1-6-4-9-10-5-7(6)3-8/h1-5,11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.94 | Datawarrior | 1 » 0 |
| 3.94 | QSARToolbox | 1 » 0 |
| 3.94 | OCHEM | 1 » 0 |
| 7.95 | OCHEM | 0 » -1 |
| 7.95 | Datawarrior | 0 » -1 |