Molecule ID: mol887
SMILES: CCN(CC)CCC(C#N)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C20H24N2/c1-3-22(4-2)16-15-20(17-21,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14H,3-4,15-16H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.08 | IUPAC digitized pKa | 1 » 0 |
| 9.08 | Hunt | 1 » 0 |
| 9.08 | OCHEM | 1 » 0 |
| 9.80 | QSARToolbox | 1 » 0 |