Molecule ID: mol14502
SMILES: COc1ccc2[nH]c3c(C)nccc3c2c1
InChI: InChI=1S/C13H12N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-7,15H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.09 | Datawarrior | 1 » 0 |
| 7.09 | QSARToolbox | 1 » 0 |
| 7.09 | OCHEM | 1 » 0 |
| 14.56 | Datawarrior | 0 » -1 |
| 14.56 | OCHEM | 0 » -1 |