Molecule ID: mol3178
SMILES: CCN(CC)CCCC#N
InChI: InChI=1S/C8H16N2/c1-3-10(4-2)8-6-5-7-9/h3-6,8H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.29 | QSARToolbox | 1 » 0 |
| 9.29 | IUPAC digitized pKa | 1 » 0 |
| 9.29 | Datawarrior | 1 » 0 |
| 9.29 | OCHEM | 1 » 0 |
| 9.29 | OCHEM | 1 » 0 |
| 9.29 | AttenGpKa training set | 1 » 0 |