Molecule ID: mol4446
SMILES: COc1cccc2ccc(C)nc12
InChI: InChI=1S/C11H11NO/c1-8-6-7-9-4-3-5-10(13-2)11(9)12-8/h3-7H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.69 | Datawarrior | 1 » 0 |
| 5.69 | OCHEM | 1 » 0 |
| 5.70 | IUPAC digitized pKa | 1 » 0 |
| 5.70 | OCHEM | 1 » 0 |
| 8.30 | QSARToolbox | 1 » 0 |