Molecule ID: mol13290
SMILES: CCN(CC)Cc1cc(Cl)ccc1O
InChI: InChI=1S/C11H16ClNO/c1-3-13(4-2)8-9-7-10(12)5-6-11(9)14/h5-7,14H,3-4,8H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.75 | QSARToolbox | 1 » 0 |
| 7.75 | AttenGpKa training set | 1 » 0 |
| 7.77 | QSARToolbox | 1 » 0 |
| 7.85 | QSARToolbox | 1 » 0 |
| 8.11 | OCHEM | 1 » 0 |
| 8.11 | Datawarrior | 1 » 0 |
| 9.92 | QSARToolbox | 1 » 0 |
| 11.17 | QSARToolbox | 0 » -1 |
| 11.19 | Datawarrior | 0 » -1 |
| 11.19 | OCHEM | 0 » -1 |
| 11.74 | QSARToolbox | 0 » -1 |