Molecule ID: mol866
SMILES: CN(CCO)CCCl
InChI: InChI=1S/C5H12ClNO/c1-7(3-2-6)4-5-8/h8H,2-5H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.48 | OCHEM | 1 » 0 |
| 7.48 | Hunt | 1 » 0 |
| 7.48 | AttenGpKa training set | 1 » 0 |
| 7.50 | Datawarrior | 1 » 0 |
| 7.50 | OCHEM | 1 » 0 |
| 7.65 | OCHEM | 1 » 0 |