Molecule ID: mol7
SMILES: CC(C)CC(N)C(=O)O
InChI: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.32 | QSARToolbox | 1 » 0 |
| 2.33 | OCHEM | 1 » 0 |
| 2.33 | QSARToolbox | 1 » 0 |
| 2.33 | QSARToolbox | 1 » 0 |
| 2.33 | QSARToolbox | 1 » 0 |
| 2.36 | QSARToolbox | 1 » 0 |
| 2.36 | QSARToolbox | 1 » 0 |
| 2.36 | QSARToolbox | 1 » 0 |
| 2.36 | QSARToolbox | 1 » 0 |
| 2.36 | QSARToolbox | 1 » 0 |
| 2.38 | OCHEM | 1 » 0 |
| 2.38 | Settimo | 1 » 0 |
| 2.46 | Datawarrior | 1 » 0 |
| 2.50 | OCHEM | 1 » 0 |
| 2.54 | Datawarrior | 1 » 0 |
| 3.30 | QSARToolbox | 1 » 0 |
| 3.30 | QSARToolbox | 1 » 0 |
| 9.14 | QSARToolbox | 0 » -1 |
| 9.14 | QSARToolbox | 0 » -1 |
| 9.60 | QSARToolbox | 0 » -1 |
| 9.60 | QSARToolbox | 0 » -1 |
| 9.61 | OCHEM | 0 » -1 |
| 9.61 | Settimo | 0 » -1 |
| 9.62 | Datawarrior | 0 » -1 |
| 9.69 | OCHEM | 0 » -1 |
| 9.70 | OCHEM | 0 » -1 |
| 9.72 | QSARToolbox | 0 » -1 |
| 9.72 | QSARToolbox | 0 » -1 |
| 9.76 | Datawarrior | 0 » -1 |