Molecule ID: mol1868
SMILES: CCN(CC)CCC#N
InChI: InChI=1S/C7H14N2/c1-3-9(4-2)7-5-6-8/h3-5,7H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.60 | QSARToolbox | 1 » 0 |
| 7.60 | QSARToolbox | 1 » 0 |
| 7.60 | IUPAC digitized pKa | 1 » 0 |
| 7.62 | OCHEM | 1 » 0 |
| 7.62 | Datawarrior | 1 » 0 |
| 7.63 | OCHEM | 1 » 0 |
| 7.63 | QSARToolbox | 1 » 0 |
| 7.65 | IUPAC digitized pKa | 1 » 0 |
| 7.65 | AttenGpKa training set | 1 » 0 |
| 7.65 | QSARToolbox | 1 » 0 |
| 7.65 | QSARToolbox | 1 » 0 |
| 8.29 | OCHEM | 1 » 0 |
| 8.29 | Hunt | 1 » 0 |