Molecule ID: mol12629
SMILES: NCC(=O)N1CCCC1C(=O)O
InChI: InChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.84 | QSARToolbox | 1 » 0 |
| 2.95 | Datawarrior | 1 » 0 |
| 2.95 | OCHEM | 1 » 0 |
| 8.49 | OCHEM | 0 » -1 |
| 8.49 | Datawarrior | 0 » -1 |