Molecule ID: mol17157
SMILES: CCN(CC)CCCCn1c2ccccc2c(=O)c2cc(Cl)ccc21
InChI: InChI=1S/C21H25ClN2O/c1-3-23(4-2)13-7-8-14-24-19-10-6-5-9-17(19)21(25)18-15-16(22)11-12-20(18)24/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.45 | OCHEM | 2 » 1 |
| 5.45 | Baltruschat ChEMBL | 2 » 1 |