Molecule ID: mol1802
SMILES: O=C(O)[C@H]1CCCNC1
InChI: InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.35 | OCHEM | 1 » 0 |
| 3.35 | Hunt | 1 » 0 |
| 3.35 | Hunt | 1 » 0 |
| 10.64 | OCHEM | 0 » -1 |
| 10.64 | Hunt | 0 » -1 |
| 10.64 | Hunt | 0 » -1 |