Molecule ID: mol13510
SMILES: CCCNC(C)C(=O)O
InChI: InChI=1S/C6H13NO2/c1-3-4-7-5(2)6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.19 | QSARToolbox | 1 » 0 |
| 2.21 | Datawarrior | 1 » 0 |
| 2.21 | OCHEM | 1 » 0 |
| 2.21 | OCHEM | 1 » 0 |
| 2.21 | QSARToolbox | 1 » 0 |
| 2.21 | QSARToolbox | 1 » 0 |
| 2.21 | QSARToolbox | 1 » 0 |
| 2.21 | QSARToolbox | 1 » 0 |
| 10.19 | Datawarrior | 0 » -1 |
| 10.19 | OCHEM | 0 » -1 |
| 10.20 | OCHEM | 0 » -1 |