Molecule ID: mol2439
SMILES: Oc1ccccc1-c1ccccn1
InChI: InChI=1S/C11H9NO/c13-11-7-2-1-5-9(11)10-6-3-4-8-12-10/h1-8,13H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.64 | QSARToolbox | 1 » 0 |
| 4.19 | IUPAC digitized pKa | 1 » 0 |
| 4.19 | OCHEM | 1 » 0 |
| 4.19 | QSARToolbox | 1 » 0 |
| 4.20 | OCHEM | 1 » 0 |
| 4.20 | QSARToolbox | 1 » 0 |
| 4.20 | Datawarrior | 1 » 0 |
| 9.98 | Hunt | 0 » -1 |
| 10.63 | Datawarrior | 0 » -1 |
| 10.63 | OCHEM | 0 » -1 |
| 10.63 | QSARToolbox | 0 » -1 |
| 10.64 | IUPAC digitized pKa | 0 » -1 |