Molecule ID: mol13052
SMILES: N[C@H]1CCCC[C@@H]1C(=O)O
InChI: InChI=1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.59 | QSARToolbox | 1 » 0 |
| 3.59 | Datawarrior | 1 » 0 |
| 3.79 | QSARToolbox | 1 » 0 |
| 10.10 | Datawarrior | 0 » -1 |