Molecule ID: mol1880
SMILES: NCC(Cl)(Cl)CCl
InChI: InChI=1S/C3H6Cl3N/c4-1-3(5,6)2-7/h1-2,7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.00 | IUPAC digitized pKa | 1 » 0 |
| 6.00 | OCHEM | 1 » 0 |
| 6.00 | Hunt | 1 » 0 |
| 6.00 | OCHEM | 1 » 0 |
| 6.00 | QSARToolbox | 1 » 0 |