Molecule ID: mol183
SMILES: CN(C)CC#N
InChI: InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.10 | IUPAC digitized pKa | 1 » 0 |
| 4.15 | OCHEM | 1 » 0 |
| 4.20 | QSARToolbox | 1 » 0 |
| 4.20 | IUPAC digitized pKa | 1 » 0 |
| 4.20 | OCHEM | 1 » 0 |
| 4.20 | Settimo | 1 » 0 |
| 4.20 | AttenGpKa training set | 1 » 0 |
| 4.50 | Datawarrior | 1 » 0 |
| 4.50 | OCHEM | 1 » 0 |