Molecule ID: mol14074
SMILES: NCCCCCCCC(=O)O
InChI: InChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.48 | QSARToolbox | 1 » 0 |
| 4.50 | Datawarrior | 1 » 0 |
| 4.50 | OCHEM | 1 » 0 |
| 4.50 | QSARToolbox | 1 » 0 |
| 4.59 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.59 | AttenGpKa training set | 1 » 0 |
| 10.46 | AttenGpKa training set | 0 » -1 |
| 10.97 | Datawarrior | 0 » -1 |
| 10.97 | OCHEM | 0 » -1 |