Molecule ID: mol13429
SMILES: Oc1ccccc1CN1CCCCC1
InChI: InChI=1S/C12H17NO/c14-12-7-3-2-6-11(12)10-13-8-4-1-5-9-13/h2-3,6-7,14H,1,4-5,8-10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.23 | AttenGpKa training set | 1 » 0 |
| 8.60 | Datawarrior | 1 » 0 |
| 8.87 | QSARToolbox | 1 » 0 |
| 11.01 | Datawarrior | 0 » -1 |
| 11.01 | OCHEM | 0 » -1 |
| 11.30 | QSARToolbox | 0 » -1 |
| 11.31 | QSARToolbox | 0 » -1 |