Molecule ID: mol4683
SMILES: C1CN2CCN1CC2
InChI: InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.96 | AttenGpKa training set | 2 » 1 |
| 2.97 | IUPAC digitized pKa | 2 » 1 |
| 3.07 | Datawarrior | 2 » 1 |
| 3.20 | QSARToolbox | 2 » 1 |
| 3.30 | QSARToolbox | 2 » 1 |
| 4.18 | IUPAC digitized pKa | 2 » 1 |
| 5.40 | QSARToolbox | 2 » 1 |
| 8.19 | IUPAC digitized pKa | 1 » 0 |
| 8.47 | QSARToolbox | 1 » 0 |
| 8.70 | QSARToolbox | 1 » 0 |
| 8.71 | AttenGpKa training set | 1 » 0 |
| 8.72 | QSARToolbox | 1 » 0 |
| 8.75 | Datawarrior | 1 » 0 |
| 8.75 | OCHEM | 1 » 0 |
| 8.82 | IUPAC digitized pKa | 1 » 0 |
| 8.82 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 9.00 | QSARToolbox | 1 » 0 |
| 11.05 | QSARToolbox | 1 » 0 |