Molecule ID: mol16276
SMILES: O=C(O)Cc1ccc2[nH]c3c(c2c1)CN(Cc1ccccc1)CC3
InChI: InChI=1S/C20H20N2O2/c23-20(24)11-15-6-7-18-16(10-15)17-13-22(9-8-19(17)21-18)12-14-4-2-1-3-5-14/h1-7,10,21H,8-9,11-13H2,(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.34 | Baltruschat ChEMBL | 1 » 0 |
| 4.34 | Baltruschat ChEMBL | 1 » 0 |
| 8.65 | Baltruschat ChEMBL | 0 » -1 |
| 8.65 | Baltruschat ChEMBL | 0 » -1 |