Molecule ID: mol13308
SMILES: CCCCOC(=O)c1ccc[n+](O)c1
InChI: InChI=1S/C10H14NO3/c1-2-3-7-14-10(12)9-5-4-6-11(13)8-9/h4-6,8,13H,2-3,7H2,1H3/q+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.03 | OCHEM | 1 » 0 |
| 0.03 | Datawarrior | 1 » 0 |
| 0.03 | AttenGpKa training set | 1 » 0 |