Molecule ID: mol14214
SMILES: N#C[C@H]1CCCC[C@@H]1C(=O)O
InChI: InChI=1S/C8H11NO2/c9-5-6-3-1-2-4-7(6)8(10)11/h6-7H,1-4H2,(H,10,11)/t6-,7+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.86 | QSARToolbox | 0 » -1 |
| 3.86 | Datawarrior | 0 » -1 |
| 3.87 | OCHEM | 0 » -1 |
| 3.87 | OCHEM | 0 » -1 |