Molecule ID: mol913
SMILES: CCCCNCCCC
InChI: InChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.20 | QSARToolbox | 1 » 0 |
| 11.25 | IUPAC digitized pKa | 1 » 0 |
| 11.25 | OCHEM | 1 » 0 |
| 11.25 | OCHEM | 1 » 0 |
| 11.25 | Hunt | 1 » 0 |
| 11.25 | OCHEM | 1 » 0 |
| 11.25 | QSARToolbox | 1 » 0 |
| 11.25 | QSARToolbox | 1 » 0 |
| 11.25 | AttenGpKa training set | 1 » 0 |
| 11.29 | Datawarrior | 1 » 0 |
| 11.29 | OCHEM | 1 » 0 |
| 11.30 | QSARToolbox | 1 » 0 |
| 11.31 | QSARToolbox | 1 » 0 |
| 11.32 | OCHEM | 1 » 0 |
| 11.39 | IUPAC digitized pKa | 1 » 0 |
| 11.39 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 11.39 | OCHEM | 1 » 0 |
| 11.39 | OCHEM | 1 » 0 |
| 11.39 | QSARToolbox | 1 » 0 |
| 11.39 | QSARToolbox | 1 » 0 |
| 13.60 | QSARToolbox | 1 » 0 |