Molecule ID: mol883
SMILES: CCCN(CCCl)CCCl
InChI: InChI=1S/C7H15Cl2N/c1-2-5-10(6-3-8)7-4-9/h2-7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.68 | IUPAC digitized pKa | 1 » 0 |
| 6.68 | OCHEM | 1 » 0 |
| 6.68 | Hunt | 1 » 0 |
| 6.68 | AttenGpKa training set | 1 » 0 |
| 6.70 | OCHEM | 1 » 0 |
| 6.70 | Datawarrior | 1 » 0 |
| 6.84 | OCHEM | 1 » 0 |
| 7.00 | IUPAC digitized pKa | 1 » 0 |