Molecule ID: mol3477
SMILES: COc1ccccc1C(=N)c1ccccc1
InChI: InChI=1S/C14H13NO/c1-16-13-10-6-5-9-12(13)14(15)11-7-3-2-4-8-11/h2-10,15H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.71 | QSARToolbox | 1 » 0 |
| 7.29 | IUPAC digitized pKa | 1 » 0 |
| 7.29 | Datawarrior | 1 » 0 |
| 7.29 | OCHEM | 1 » 0 |
| 7.30 | OCHEM | 1 » 0 |
| 7.30 | OCHEM | 1 » 0 |