Molecule ID: mol2374
SMILES: CCC(N)(CO)CO
InChI: InChI=1S/C5H13NO2/c1-2-5(6,3-7)4-8/h7-8H,2-4,6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | QSARToolbox | 1 » 0 |
| 8.80 | IUPAC digitized pKa | 1 » 0 |
| 8.80 | Datawarrior | 1 » 0 |
| 8.80 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 8.80 | OCHEM | 1 » 0 |
| 8.80 | Hunt | 1 » 0 |
| 8.80 | OCHEM | 1 » 0 |
| 8.82 | AttenGpKa training set | 1 » 0 |