Molecule ID: mol14492
SMILES: CN1CCN(C)c2cccc3cccc1c23
InChI: InChI=1S/C14H16N2/c1-15-9-10-16(2)13-8-4-6-11-5-3-7-12(15)14(11)13/h3-8H,9-10H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.62 | QSARToolbox | 2 » 1 |
| 4.62 | OCHEM | 2 » 1 |
| 4.62 | Datawarrior | 2 » 1 |
| 4.62 | AttenGpKa training set | 2 » 1 |