Molecule ID: mol3556
SMILES: CCC1CN1
InChI: InChI=1S/C4H9N/c1-2-4-3-5-4/h4-5H,2-3H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.69 | Datawarrior | 1 » 0 |
| 5.69 | QSARToolbox | 1 » 0 |
| 5.69 | OCHEM | 1 » 0 |
| 5.70 | QSARToolbox | 1 » 0 |
| 8.29 | QSARToolbox | 1 » 0 |
| 8.29 | IUPAC digitized pKa | 1 » 0 |
| 8.29 | AttenGpKa training set | 1 » 0 |
| 8.30 | OCHEM | 1 » 0 |
| 8.31 | IUPAC digitized pKa | 1 » 0 |
| 8.31 | QSARToolbox | 1 » 0 |