Molecule ID: mol1803
SMILES: O=C(O)[C@H]1CCCN1
InChI: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.99 | OCHEM | 1 » 0 |
| 1.99 | Hunt | 1 » 0 |
| 1.99 | Hunt | 1 » 0 |
| 10.96 | OCHEM | 0 » -1 |
| 10.96 | Hunt | 0 » -1 |
| 10.96 | Hunt | 0 » -1 |