Molecule ID: mol1766
SMILES: CCN(CC)CCOC(=O)c1ccccc1
InChI: InChI=1S/C13H19NO2/c1-3-14(4-2)10-11-16-13(15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.85 | OCHEM | 1 » 0 |
| 8.85 | Hunt | 1 » 0 |
| 8.90 | OCHEM | 1 » 0 |
| 8.90 | Datawarrior | 1 » 0 |
| 8.90 | AttenGpKa training set | 1 » 0 |