Molecule ID: mol231
SMILES: CCOC(=O)CCCCN
InChI: InChI=1S/C7H15NO2/c1-2-10-7(9)5-3-4-6-8/h2-6,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.15 | Datawarrior | 1 » 0 |
| 10.15 | OCHEM | 1 » 0 |
| 10.15 | IUPAC digitized pKa | 1 » 0 |
| 10.50 | OCHEM | 1 » 0 |
| 10.50 | OCHEM | 1 » 0 |
| 10.50 | Hunt | 1 » 0 |
| 10.50 | Settimo | 1 » 0 |
| 10.50 | AttenGpKa training set | 1 » 0 |