Molecule ID: mol12634
SMILES: CCCCCNc1ccccc1
InChI: InChI=1S/C11H17N/c1-2-3-7-10-12-11-8-5-4-6-9-11/h4-6,8-9,12H,2-3,7,10H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.92 | QSARToolbox | 1 » 0 |
| 5.16 | OCHEM | 1 » 0 |
| 5.20 | OCHEM | 1 » 0 |
| 5.20 | Datawarrior | 1 » 0 |