Molecule ID: mol13430
SMILES: OC(c1ccccc1)c1ccccn1
InChI: InChI=1S/C12H11NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9,12,14H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.41 | QSARToolbox | 1 » 0 |
| 4.44 | OCHEM | 1 » 0 |
| 4.44 | Datawarrior | 1 » 0 |
| 4.44 | OCHEM | 1 » 0 |
| 4.45 | QSARToolbox | 1 » 0 |
| 12.85 | Datawarrior | 0 » -1 |
| 12.85 | OCHEM | 0 » -1 |