Molecule ID: mol14926
SMILES: O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
InChI: InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.20 | Baltruschat ChEMBL | 1 » 0 |
| 6.31 | OCHEM | 1 » 0 |
| 6.31 | QSARToolbox | 1 » 0 |
| 6.31 | Datawarrior | 1 » 0 |