Molecule ID: mol15450
SMILES: O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCCCN1CCOCC1
InChI: InChI=1S/C22H26Cl2N2O3/c23-18-7-5-8-19(24)22(18)25-20-9-2-1-6-17(20)16-21(27)29-13-4-3-10-26-11-14-28-15-12-26/h1-2,5-9,25H,3-4,10-16H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.40 | OCHEM | 1 » 0 |
| 8.40 | QSARToolbox | 1 » 0 |
| 8.40 | Datawarrior | 1 » 0 |