Molecule ID: mol192
SMILES: CN(C)CCC#N
InChI: InChI=1S/C5H10N2/c1-7(2)5-3-4-6/h3,5H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.89 | QSARToolbox | 1 » 0 |
| 7.00 | IUPAC digitized pKa | 1 » 0 |
| 7.00 | OCHEM | 1 » 0 |
| 7.00 | OCHEM | 1 » 0 |
| 7.00 | QSARToolbox | 1 » 0 |
| 7.00 | QSARToolbox | 1 » 0 |
| 7.00 | Settimo | 1 » 0 |
| 7.00 | AttenGpKa training set | 1 » 0 |
| 7.01 | Datawarrior | 1 » 0 |
| 7.01 | OCHEM | 1 » 0 |
| 7.03 | QSARToolbox | 1 » 0 |