Molecule ID: mol3117
SMILES: CCN(CC#N)CC#N
InChI: InChI=1S/C6H9N3/c1-2-9(5-3-7)6-4-8/h2,5-6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.60 | QSARToolbox | 1 » 0 |
| -0.60 | IUPAC digitized pKa | 1 » 0 |
| -0.60 | OCHEM | 1 » 0 |
| -0.60 | AttenGpKa training set | 1 » 0 |