Molecule ID: mol17161
SMILES: O=c1c2ccccc2n(CCCN2CCCC2)c2ccc(Cl)cc12
InChI: InChI=1S/C20H21ClN2O/c21-15-8-9-19-17(14-15)20(24)16-6-1-2-7-18(16)23(19)13-5-12-22-10-3-4-11-22/h1-2,6-9,14H,3-5,10-13H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.21 | OCHEM | 2 » 1 |
| 5.21 | Baltruschat ChEMBL | 2 » 1 |