Molecule ID: mol28091
SMILES: COc1ccc(/N=C(\N)c2ccccc2)cc1
InChI: InChI=1S/C14H14N2O/c1-17-13-9-7-12(8-10-13)16-14(15)11-5-3-2-4-6-11/h2-10H,1H3,(H2,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.40 | QSARToolbox | 1 » 0 |
| 9.55 | AttenGpKa training set | 1 » 0 |
| 9.55 | AttenGpKa training set | 1 » 0 |