Molecule ID: mol2480
SMILES: Oc1ccc2nccnc2c1
InChI: InChI=1S/C8H6N2O/c11-6-1-2-7-8(5-6)10-4-3-9-7/h1-5,11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.40 | QSARToolbox | 1 » 0 |
| 1.40 | Datawarrior | 1 » 0 |
| 1.40 | OCHEM | 1 » 0 |
| 1.40 | OCHEM | 1 » 0 |
| 1.40 | AttenGpKa training set | 1 » 0 |
| 7.92 | Datawarrior | 0 » -1 |
| 7.92 | AttenGpKa training set | 0 » -1 |
| 7.92 | QSARToolbox | 0 » -1 |
| 7.92 | OCHEM | 0 » -1 |
| 7.94 | IUPAC digitized pKa | 0 » -1 |
| 7.94 | Hunt | 0 » -1 |
| 7.94 | OCHEM | 0 » -1 |