Molecule ID: mol2065
SMILES: CN(c1ccccc1)C1CCCCC1
InChI: InChI=1S/C13H19N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.35 | OCHEM | 1 » 0 |
| 6.35 | QSARToolbox | 1 » 0 |
| 6.35 | IUPAC digitized pKa | 1 » 0 |
| 6.35 | Datawarrior | 1 » 0 |
| 6.35 | Hunt | 1 » 0 |
| 6.35 | OCHEM | 1 » 0 |
| 6.35 | AttenGpKa training set | 1 » 0 |