Molecule ID: mol4335
SMILES: COc1nccc2ccccc12
InChI: InChI=1S/C10H9NO/c1-12-10-9-5-3-2-4-8(9)6-7-11-10/h2-7H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.01 | IUPAC digitized pKa | 1 » 0 |
| 3.01 | OCHEM | 1 » 0 |
| 3.05 | QSARToolbox | 1 » 0 |
| 3.05 | Datawarrior | 1 » 0 |
| 3.05 | OCHEM | 1 » 0 |
| 3.05 | AttenGpKa training set | 1 » 0 |
| 3.10 | QSARToolbox | 1 » 0 |