Molecule ID: mol3102
SMILES: NCCNCCO
InChI: InChI=1S/C4H12N2O/c5-1-2-6-3-4-7/h6-7H,1-5H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.34 | IUPAC digitized pKa | 2 » 1 |
| 6.34 | QSARToolbox | 2 » 1 |
| 6.49 | QSARToolbox | 2 » 1 |
| 6.49 | QSARToolbox | 2 » 1 |
| 6.49 | IUPAC digitized pKa | 2 » 1 |
| 6.66 | Datawarrior | 2 » 1 |
| 6.80 | OCHEM | 2 » 1 |
| 6.83 | QSARToolbox | 2 » 1 |
| 6.83 | QSARToolbox | 2 » 1 |
| 6.83 | IUPAC digitized pKa | 2 » 1 |
| 6.83 | AttenGpKa training set | 2 » 1 |
| 9.52 | IUPAC digitized pKa | 1 » 0 |
| 9.52 | QSARToolbox | 1 » 0 |
| 9.52 | QSARToolbox | 1 » 0 |
| 9.56 | IUPAC digitized pKa | 1 » 0 |
| 9.56 | QSARToolbox | 1 » 0 |
| 9.67 | Datawarrior | 1 » 0 |
| 9.67 | OCHEM | 1 » 0 |
| 9.80 | OCHEM | 1 » 0 |
| 9.82 | QSARToolbox | 1 » 0 |
| 9.82 | QSARToolbox | 1 » 0 |
| 9.82 | IUPAC digitized pKa | 1 » 0 |
| 9.82 | AttenGpKa training set | 1 » 0 |
| 10.12 | OCHEM | 1 » 0 |
| 10.12 | OCHEM | 1 » 0 |