Molecule ID: mol13618
SMILES: OCCN1CCNCC1
InChI: InChI=1S/C6H14N2O/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.97 | AttenGpKa training set | 2 » 1 |
| 5.47 | Datawarrior | 2 » 1 |
| 5.90 | QSARToolbox | 2 » 1 |
| 5.90 | QSARToolbox | 2 » 1 |
| 5.90 | QSARToolbox | 2 » 1 |
| 5.90 | QSARToolbox | 2 » 1 |
| 5.90 | QSARToolbox | 2 » 1 |
| 9.15 | QSARToolbox | 1 » 0 |
| 9.15 | AttenGpKa training set | 1 » 0 |
| 9.33 | OCHEM | 1 » 0 |
| 9.33 | Datawarrior | 1 » 0 |
| 9.34 | QSARToolbox | 1 » 0 |
| 9.38 | QSARToolbox | 1 » 0 |
| 9.38 | QSARToolbox | 1 » 0 |
| 9.38 | QSARToolbox | 1 » 0 |
| 9.38 | QSARToolbox | 1 » 0 |
| 9.38 | QSARToolbox | 1 » 0 |
| 9.38 | QSARToolbox | 1 » 0 |
| 9.38 | QSARToolbox | 1 » 0 |
| 9.38 | QSARToolbox | 1 » 0 |
| 9.38 | QSARToolbox | 1 » 0 |
| 9.39 | QSARToolbox | 1 » 0 |
| 9.45 | QSARToolbox | 1 » 0 |
| 9.51 | QSARToolbox | 1 » 0 |
| 9.51 | QSARToolbox | 1 » 0 |
| 9.53 | QSARToolbox | 1 » 0 |