Molecule ID: mol864
SMILES: ClCCN(CCCl)CCCl
InChI: InChI=1S/C6H12Cl3N/c7-1-4-10(5-2-8)6-3-9/h1-6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.37 | IUPAC digitized pKa | 1 » 0 |
| 4.37 | OCHEM | 1 » 0 |
| 4.37 | Hunt | 1 » 0 |
| 4.37 | AttenGpKa training set | 1 » 0 |
| 4.51 | OCHEM | 1 » 0 |
| 4.64 | IUPAC digitized pKa | 1 » 0 |
| 4.64 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |