Molecule ID: mol198
SMILES: CCCCN(C)C
InChI: InChI=1S/C6H15N/c1-4-5-6-7(2)3/h4-6H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.03 | Datawarrior | 1 » 0 |
| 10.03 | OCHEM | 1 » 0 |
| 10.19 | IUPAC digitized pKa | 1 » 0 |
| 10.19 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 10.19 | OCHEM | 1 » 0 |
| 10.19 | OCHEM | 1 » 0 |
| 10.19 | OCHEM | 1 » 0 |
| 10.20 | OCHEM | 1 » 0 |
| 10.20 | OCHEM | 1 » 0 |
| 10.20 | Hunt | 1 » 0 |
| 10.20 | Settimo | 1 » 0 |
| 10.34 | AttenGpKa training set | 1 » 0 |