Molecule ID: mol10267
SMILES: NCCCCCCC(=O)O
InChI: InChI=1S/C7H15NO2/c8-6-4-2-1-3-5-7(9)10/h1-6,8H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.42 | QSARToolbox | 1 » 0 |
| 4.44 | Datawarrior | 1 » 0 |
| 4.44 | OCHEM | 1 » 0 |
| 4.45 | QSARToolbox | 1 » 0 |
| 4.45 | QSARToolbox | 1 » 0 |
| 4.50 | IUPAC digitized pKa | 1 » 0 |
| 4.52 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.52 | AttenGpKa training set | 1 » 0 |
| 10.50 | AttenGpKa training set | 0 » -1 |
| 10.95 | Datawarrior | 0 » -1 |
| 10.95 | OCHEM | 0 » -1 |