Molecule ID: mol920
SMILES: NCCC=C(Cl)Cl
InChI: InChI=1S/C4H7Cl2N/c5-4(6)2-1-3-7/h2H,1,3,7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.85 | Datawarrior | 1 » 0 |
| 9.85 | OCHEM | 1 » 0 |
| 9.97 | AttenGpKa training set | 1 » 0 |
| 10.12 | IUPAC digitized pKa | 1 » 0 |
| 10.12 | OCHEM | 1 » 0 |
| 10.12 | Hunt | 1 » 0 |