Molecule ID: mol1416
SMILES: Oc1ccc2ccnnc2c1
InChI: InChI=1S/C8H6N2O/c11-7-2-1-6-3-4-9-10-8(6)5-7/h1-5,11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.29 | IUPAC digitized pKa | 1 » 0 |
| 3.31 | OCHEM | 1 » 0 |
| 3.31 | QSARToolbox | 1 » 0 |
| 3.31 | Datawarrior | 1 » 0 |
| 3.31 | AttenGpKa training set | 1 » 0 |
| 7.56 | OCHEM | 0 » -1 |
| 7.56 | Datawarrior | 0 » -1 |
| 7.56 | AttenGpKa training set | 0 » -1 |
| 7.59 | IUPAC digitized pKa | 0 » -1 |
| 7.59 | Hunt | 0 » -1 |