Molecule ID: mol17163
SMILES: O=c1c2ccccc2n(CCCN2CCCCC2)c2ccc(Cl)cc12
InChI: InChI=1S/C21H23ClN2O/c22-16-9-10-20-18(15-16)21(25)17-7-2-3-8-19(17)24(20)14-6-13-23-11-4-1-5-12-23/h2-3,7-10,15H,1,4-6,11-14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.39 | OCHEM | 1 » 0 |
| 5.39 | Baltruschat ChEMBL | 1 » 0 |