Molecule ID: mol5013
SMILES: COc1c2ccccc2nc2ccccc12
InChI: InChI=1S/C14H11NO/c1-16-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14/h2-9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.00 | Datawarrior | 1 » 0 |
| 7.00 | OCHEM | 1 » 0 |
| 7.00 | QSARToolbox | 1 » 0 |
| 7.00 | QSARToolbox | 1 » 0 |
| 7.00 | AttenGpKa training set | 1 » 0 |