Molecule ID: mol8377
SMILES: COc1ccc2nc3ccccc3cc2c1
InChI: InChI=1S/C14H11NO/c1-16-12-6-7-14-11(9-12)8-10-4-2-3-5-13(10)15-14/h2-9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.82 | OCHEM | 1 » 0 |
| 3.82 | Datawarrior | 1 » 0 |
| 4.80 | AttenGpKa training set | 1 » 0 |
| 5.47 | IUPAC digitized pKa | 1 » 0 |
| 5.47 | OCHEM | 1 » 0 |