Molecule ID: mol3106
SMILES: CNCCN
InChI: InChI=1S/C3H10N2/c1-5-3-2-4/h5H,2-4H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.38 | IUPAC digitized pKa | 2 » 1 |
| 6.38 | QSARToolbox | 2 » 1 |
| 6.63 | IUPAC digitized pKa | 2 » 1 |
| 6.86 | IUPAC digitized pKa | 2 » 1 |
| 6.86 | OCHEM | 2 » 1 |
| 7.13 | IUPAC digitized pKa | 2 » 1 |
| 7.26 | IUPAC digitized pKa | 2 » 1 |
| 7.41 | AttenGpKa training set | 2 » 1 |
| 7.49 | Datawarrior | 2 » 1 |
| 7.56 | QSARToolbox | 2 » 1 |
| 7.56 | IUPAC digitized pKa | 2 » 1 |
| 8.00 | IUPAC digitized pKa | 2 » 1 |
| 9.61 | QSARToolbox | 1 » 0 |
| 9.61 | IUPAC digitized pKa | 1 » 0 |
| 9.90 | IUPAC digitized pKa | 1 » 0 |
| 10.14 | IUPAC digitized pKa | 1 » 0 |
| 10.15 | IUPAC digitized pKa | 1 » 0 |
| 10.15 | OCHEM | 1 » 0 |
| 10.27 | AttenGpKa training set | 1 » 0 |
| 10.36 | Datawarrior | 1 » 0 |
| 10.36 | OCHEM | 1 » 0 |
| 10.40 | QSARToolbox | 1 » 0 |
| 10.40 | IUPAC digitized pKa | 1 » 0 |
| 10.44 | IUPAC digitized pKa | 1 » 0 |
| 10.83 | IUPAC digitized pKa | 1 » 0 |