Molecule ID: mol3295
SMILES: N[C@@H]1CCCC[C@H]1N
InChI: InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.96 | IUPAC digitized pKa | 2 » 1 |
| 5.96 | QSARToolbox | 2 » 1 |
| 6.20 | IUPAC digitized pKa | 2 » 1 |
| 6.35 | AttenGpKa training set | 2 » 1 |
| 6.47 | IUPAC digitized pKa | 2 » 1 |
| 6.71 | IUPAC digitized pKa | 2 » 1 |
| 6.72 | QSARToolbox | 2 » 1 |
| 9.38 | IUPAC digitized pKa | 1 » 0 |
| 9.38 | QSARToolbox | 2 » 1 |
| 9.60 | IUPAC digitized pKa | 1 » 0 |
| 9.71 | QSARToolbox | 2 » 1 |
| 9.82 | AttenGpKa training set | 2 » 1 |
| 9.94 | IUPAC digitized pKa | 1 » 0 |
| 10.24 | IUPAC digitized pKa | 1 » 0 |