Molecule ID: mol2245
SMILES: NCC(Cl)(Cl)Cl
InChI: InChI=1S/C2H4Cl3N/c3-2(4,5)1-6/h1,6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.26 | IUPAC digitized pKa | 1 » 0 |
| 5.47 | QSARToolbox | 1 » 0 |
| 5.47 | IUPAC digitized pKa | 1 » 0 |
| 5.47 | OCHEM | 1 » 0 |
| 5.47 | Hunt | 1 » 0 |
| 5.47 | OCHEM | 1 » 0 |