Molecule ID: mol5896
SMILES: CCCCN(CCO)CCO
InChI: InChI=1S/C8H19NO2/c1-2-3-4-9(5-7-10)6-8-11/h10-11H,2-8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.29 | IUPAC digitized pKa | 1 » 0 |
| 8.48 | IUPAC digitized pKa | 1 » 0 |
| 8.67 | IUPAC digitized pKa | 1 » 0 |
| 8.77 | AttenGpKa training set | 1 » 0 |
| 8.89 | IUPAC digitized pKa | 1 » 0 |
| 8.99 | IUPAC digitized pKa | 1 » 0 |
| 9.10 | IUPAC digitized pKa | 1 » 0 |