Molecule ID: mol3103
SMILES: CC(O)CNCCN
InChI: InChI=1S/C5H14N2O/c1-5(8)4-7-3-2-6/h5,7-8H,2-4,6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.94 | IUPAC digitized pKa | 2 » 1 |
| 6.94 | Datawarrior | 2 » 1 |
| 6.94 | OCHEM | 2 » 1 |
| 6.94 | AttenGpKa training set | 2 » 1 |
| 6.94 | QSARToolbox | 2 » 1 |
| 6.94 | QSARToolbox | 2 » 1 |
| 9.56 | OCHEM | 1 » 0 |
| 9.86 | QSARToolbox | 1 » 0 |
| 9.86 | OCHEM | 1 » 0 |
| 9.86 | IUPAC digitized pKa | 1 » 0 |
| 9.86 | Datawarrior | 1 » 0 |
| 9.86 | AttenGpKa training set | 1 » 0 |