Molecule ID: mol3099
SMILES: CCNCCN
InChI: InChI=1S/C4H12N2/c1-2-6-4-3-5/h6H,2-5H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.42 | IUPAC digitized pKa | 2 » 1 |
| 7.42 | QSARToolbox | 2 » 1 |
| 7.52 | Datawarrior | 2 » 1 |
| 7.63 | IUPAC digitized pKa | 2 » 1 |
| 7.63 | AttenGpKa training set | 2 » 1 |
| 7.63 | QSARToolbox | 2 » 1 |
| 7.90 | OCHEM | 2 » 1 |
| 8.16 | IUPAC digitized pKa | 2 » 1 |
| 10.26 | OCHEM | 1 » 0 |
| 10.26 | OCHEM | 1 » 0 |
| 10.36 | QSARToolbox | 1 » 0 |
| 10.36 | IUPAC digitized pKa | 1 » 0 |
| 10.46 | Datawarrior | 1 » 0 |
| 10.46 | OCHEM | 1 » 0 |
| 10.56 | IUPAC digitized pKa | 1 » 0 |
| 10.56 | AttenGpKa training set | 1 » 0 |
| 10.56 | QSARToolbox | 1 » 0 |
| 11.11 | IUPAC digitized pKa | 1 » 0 |