Molecule ID: mol4359
SMILES: COc1ccc2nccc(N)c2c1
InChI: InChI=1S/C10H10N2O/c1-13-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-6H,1H3,(H2,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.93 | IUPAC digitized pKa | 1 » 0 |
| 8.93 | OCHEM | 1 » 0 |
| 8.93 | AttenGpKa training set | 1 » 0 |
| 8.93 | QSARToolbox | 1 » 0 |
| 8.93 | QSARToolbox | 1 » 0 |
| 8.94 | OCHEM | 1 » 0 |
| 8.94 | Datawarrior | 1 » 0 |
| 8.95 | QSARToolbox | 1 » 0 |