Molecule ID: mol2168
SMILES: NCC(Cl)=C(Cl)Cl
InChI: InChI=1S/C3H4Cl3N/c4-2(1-7)3(5)6/h1,7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.72 | QSARToolbox | 1 » 0 |
| 6.72 | OCHEM | 1 » 0 |
| 7.28 | IUPAC digitized pKa | 1 » 0 |
| 7.28 | OCHEM | 1 » 0 |
| 7.28 | Hunt | 1 » 0 |