Molecule ID: mol3196
SMILES: CC(O)CNCCO
InChI: InChI=1S/C5H13NO2/c1-5(8)4-6-2-3-7/h5-8H,2-4H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.05 | IUPAC digitized pKa | 1 » 0 |
| 8.35 | IUPAC digitized pKa | 1 » 0 |
| 8.35 | QSARToolbox | 1 » 0 |
| 8.57 | QSARToolbox | 1 » 0 |
| 8.57 | IUPAC digitized pKa | 1 » 0 |
| 8.81 | IUPAC digitized pKa | 1 » 0 |
| 8.81 | Datawarrior | 1 » 0 |
| 8.81 | OCHEM | 1 » 0 |
| 8.81 | AttenGpKa training set | 1 » 0 |
| 8.81 | OCHEM | 1 » 0 |
| 8.81 | QSARToolbox | 1 » 0 |