Molecule ID: mol15602
SMILES: O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCN1CCOCC1
InChI: InChI=1S/C20H22Cl2N2O3/c21-16-5-3-6-17(22)20(16)23-18-7-2-1-4-15(18)14-19(25)27-13-10-24-8-11-26-12-9-24/h1-7,23H,8-14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.52 | QSARToolbox | 1 » 0 |
| 7.52 | Datawarrior | 1 » 0 |
| 7.52 | OCHEM | 1 » 0 |