Molecule ID: mol14793
SMILES: O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCCN1CCOCC1
InChI: InChI=1S/C21H24Cl2N2O3/c22-17-6-3-7-18(23)21(17)24-19-8-2-1-5-16(19)15-20(26)28-12-4-9-25-10-13-27-14-11-25/h1-3,5-8,24H,4,9-15H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.99 | QSARToolbox | 1 » 0 |
| 7.99 | OCHEM | 1 » 0 |
| 7.99 | Datawarrior | 1 » 0 |