Molecule ID: mol897
SMILES: CCCN(CCC)CCC
InChI: InChI=1S/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.26 | IUPAC digitized pKa | 1 » 0 |
| 10.26 | OCHEM | 1 » 0 |
| 10.26 | Hunt | 1 » 0 |
| 10.29 | QSARToolbox | 1 » 0 |
| 10.46 | OCHEM | 1 » 0 |
| 10.47 | Datawarrior | 1 » 0 |
| 10.47 | OCHEM | 1 » 0 |
| 10.53 | OCHEM | 1 » 0 |
| 10.65 | QSARToolbox | 1 » 0 |
| 10.65 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 10.65 | OCHEM | 1 » 0 |
| 10.65 | OCHEM | 1 » 0 |
| 10.65 | AttenGpKa training set | 1 » 0 |
| 10.66 | IUPAC digitized pKa | 1 » 0 |
| 10.66 | OCHEM | 1 » 0 |
| 10.66 | OCHEM | 1 » 0 |