Molecule ID: mol3113
SMILES: COCCN(CCCl)CCCl
InChI: InChI=1S/C7H15Cl2NO/c1-11-7-6-10(4-2-8)5-3-9/h2-7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.45 | IUPAC digitized pKa | 1 » 0 |
| 5.45 | AttenGpKa training set | 1 » 0 |
| 5.58 | OCHEM | 1 » 0 |
| 5.71 | IUPAC digitized pKa | 1 » 0 |