Molecule ID: mol8378
SMILES: COc1cccc2cc3ccccc3nc12
InChI: InChI=1S/C14H11NO/c1-16-13-8-4-6-11-9-10-5-2-3-7-12(10)15-14(11)13/h2-9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.70 | AttenGpKa training set | 1 » 0 |
| 5.26 | IUPAC digitized pKa | 1 » 0 |
| 5.26 | OCHEM | 1 » 0 |
| 5.26 | QSARToolbox | 1 » 0 |