Molecule ID: mol3132
SMILES: CCN(C#N)CC
InChI: InChI=1S/C5H10N2/c1-3-7(4-2)5-6/h3-4H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.00 | IUPAC digitized pKa | 1 » 0 |
| -2.00 | Datawarrior | 1 » 0 |
| -2.00 | OCHEM | 1 » 0 |
| -2.00 | OCHEM | 1 » 0 |
| -2.00 | QSARToolbox | 1 » 0 |
| 1.20 | IUPAC digitized pKa | 1 » 0 |