Molecule ID: mol1168
SMILES: COc1ccccc1CN
InChI: InChI=1S/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6,9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.70 | QSARToolbox | 1 » 0 |
| 9.70 | IUPAC digitized pKa | 1 » 0 |
| 9.70 | OCHEM | 1 » 0 |
| 9.70 | Hunt | 1 » 0 |
| 9.70 | OCHEM | 1 » 0 |
| 9.75 | AttenGpKa training set | 1 » 0 |