Molecule ID: mol14301
SMILES: CC(Cc1ccccc1)N(C)CCC#N
InChI: InChI=1S/C13H18N2/c1-12(15(2)10-6-9-14)11-13-7-4-3-5-8-13/h3-5,7-8,12H,6,10-11H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.95 | OCHEM | 1 » 0 |
| 6.95 | QSARToolbox | 1 » 0 |
| 6.95 | Datawarrior | 1 » 0 |
| 6.95 | AttenGpKa training set | 1 » 0 |