Molecule ID: mol911
SMILES: CCCCN(CCCl)CCCl
InChI: InChI=1S/C8H17Cl2N/c1-2-3-6-11(7-4-9)8-5-10/h2-8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.61 | IUPAC digitized pKa | 1 » 0 |
| 6.61 | OCHEM | 1 » 0 |
| 6.61 | Hunt | 1 » 0 |
| 6.61 | AttenGpKa training set | 1 » 0 |
| 6.63 | Datawarrior | 1 » 0 |
| 6.63 | OCHEM | 1 » 0 |
| 6.78 | OCHEM | 1 » 0 |
| 6.95 | IUPAC digitized pKa | 1 » 0 |