Molecule ID: mol17159
SMILES: O=c1c2ccccc2n(CCCN(CCO)CCO)c2ccc(Cl)cc12
InChI: InChI=1S/C20H23ClN2O3/c21-15-6-7-19-17(14-15)20(26)16-4-1-2-5-18(16)23(19)9-3-8-22(10-12-24)11-13-25/h1-2,4-7,14,24-25H,3,8-13H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.80 | OCHEM | 1 » 0 |
| 4.80 | Baltruschat ChEMBL | 1 » 0 |