Molecule ID: mol13446
SMILES: Oc1ccc(Cl)cc1CN1CCCC1
InChI: InChI=1S/C11H14ClNO/c12-10-3-4-11(14)9(7-10)8-13-5-1-2-6-13/h3-4,7,14H,1-2,5-6,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.30 | Datawarrior | 1 » 0 |
| 8.30 | QSARToolbox | 1 » 0 |
| 8.30 | OCHEM | 1 » 0 |
| 11.72 | Datawarrior | 0 » -1 |
| 11.72 | OCHEM | 0 » -1 |