Molecule ID: mol878
SMILES: NCCCO
InChI: InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.97 | IUPAC digitized pKa | 1 » 0 |
| 9.38 | IUPAC digitized pKa | 1 » 0 |
| 9.65 | IUPAC digitized pKa | 1 » 0 |
| 9.85 | IUPAC digitized pKa | 1 » 0 |
| 9.91 | AttenGpKa training set | 1 » 0 |
| 9.91 | OCHEM | 1 » 0 |
| 9.96 | IUPAC digitized pKa | 1 » 0 |
| 9.96 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 9.96 | OCHEM | 1 » 0 |
| 9.96 | OCHEM | 1 » 0 |
| 9.96 | Hunt | 1 » 0 |
| 9.96 | OCHEM | 1 » 0 |
| 10.00 | Datawarrior | 1 » 0 |
| 10.00 | OCHEM | 1 » 0 |
| 10.11 | IUPAC digitized pKa | 1 » 0 |
| 10.16 | IUPAC digitized pKa | 1 » 0 |
| 10.17 | IUPAC digitized pKa | 1 » 0 |