Molecule ID: mol14503
SMILES: COc1ccc2[nH]c3c(c2c1)CCN=C3C
InChI: InChI=1S/C13H14N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-4,7,15H,5-6H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.79 | QSARToolbox | 1 » 0 |
| 9.21 | Datawarrior | 1 » 0 |
| 9.21 | OCHEM | 1 » 0 |
| 14.54 | Datawarrior | 0 » -1 |
| 14.54 | OCHEM | 0 » -1 |