Molecule ID: mol2370
SMILES: NCC=C(Cl)Cl
InChI: InChI=1S/C3H5Cl2N/c4-3(5)1-2-6/h1H,2,6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.30 | Datawarrior | 1 » 0 |
| 9.30 | OCHEM | 1 » 0 |
| 9.40 | AttenGpKa training set | 1 » 0 |
| 9.47 | IUPAC digitized pKa | 1 » 0 |
| 9.47 | OCHEM | 1 » 0 |
| 9.47 | Hunt | 1 » 0 |
| 9.47 | QSARToolbox | 1 » 0 |