Molecule ID: mol3179
SMILES: CCN(CC)C(C)(C)C#N
InChI: InChI=1S/C8H16N2/c1-5-10(6-2)8(3,4)7-9/h5-6H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.70 | IUPAC digitized pKa | 1 » 0 |
| 9.13 | IUPAC digitized pKa | 1 » 0 |
| 9.13 | AttenGpKa training set | 1 » 0 |
| 9.13 | QSARToolbox | 1 » 0 |