Molecule ID: mol23358
SMILES: O=C(O)CCCC[n+]1ccccc1
InChI: InChI=1S/C10H13NO2/c12-10(13)6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9H2/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | QSARToolbox | 1 » 0 |
| 4.20 | AttenGpKa training set | 1 » 0 |