Molecule ID: mol237
SMILES: CCOC(=O)CCCCCN
InChI: InChI=1S/C8H17NO2/c1-2-11-8(10)6-4-3-5-7-9/h2-7,9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.30 | IUPAC digitized pKa | 1 » 0 |
| 10.30 | OCHEM | 1 » 0 |
| 10.30 | Settimo | 1 » 0 |
| 10.34 | AttenGpKa training set | 1 » 0 |
| 10.37 | Datawarrior | 1 » 0 |
| 10.37 | OCHEM | 1 » 0 |