Molecule ID: mol17152
SMILES: O=c1c2ccccc2n(CCCCN2CCOCC2)c2ccc(Cl)cc12
InChI: InChI=1S/C21H23ClN2O2/c22-16-7-8-20-18(15-16)21(25)17-5-1-2-6-19(17)24(20)10-4-3-9-23-11-13-26-14-12-23/h1-2,5-8,15H,3-4,9-14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.91 | OCHEM | 1 » 0 |
| 4.91 | Baltruschat ChEMBL | 1 » 0 |