Molecule ID: mol2041
SMILES: CC(C)N(CCCl)CCCl
InChI: InChI=1S/C7H15Cl2N/c1-7(2)10(5-3-8)6-4-9/h7H,3-6H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.95 | OCHEM | 1 » 0 |
| 6.98 | IUPAC digitized pKa | 1 » 0 |
| 6.98 | OCHEM | 1 » 0 |
| 6.98 | Hunt | 1 » 0 |
| 7.00 | Datawarrior | 1 » 0 |
| 7.00 | OCHEM | 1 » 0 |
| 7.28 | IUPAC digitized pKa | 1 » 0 |