Molecule ID: mol1164
SMILES: COc1cccc(CN)c1OC
InChI: InChI=1S/C9H13NO2/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-5H,6,10H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.41 | OCHEM | 1 » 0 |
| 9.41 | QSARToolbox | 1 » 0 |
| 9.41 | QSARToolbox | 1 » 0 |
| 9.41 | IUPAC digitized pKa | 1 » 0 |
| 9.41 | Datawarrior | 1 » 0 |
| 9.41 | Hunt | 1 » 0 |
| 9.41 | OCHEM | 1 » 0 |
| 9.41 | AttenGpKa training set | 1 » 0 |