Molecule ID: mol24475
SMILES: NCCN(CCN)CCN
InChI: InChI=1S/C6H18N4/c7-1-4-10(5-2-8)6-3-9/h1-9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.15 | QSARToolbox | 4 » 3 |
| 7.71 | QSARToolbox | 3 » 2 |
| 7.98 | QSARToolbox | 3 » 2 |
| 8.41 | AttenGpKa training set | 3 » 2 |
| 9.00 | QSARToolbox | 3 » 2 |
| 9.26 | QSARToolbox | 3 » 2 |
| 9.34 | QSARToolbox | 3 » 2 |
| 9.42 | AttenGpKa training set | 3 » 2 |
| 9.60 | OCHEM | 1 » 0 |
| 9.89 | QSARToolbox | 1 » 0 |
| 9.91 | QSARToolbox | 1 » 0 |
| 10.14 | AttenGpKa training set | 1 » 0 |