Molecule ID: mol17755
SMILES: CNC(=O)c1ccc2c(c1)[C@@H](NC)CC[C@H]2c1ccc(Cl)c(Cl)c1
InChI: InChI=1S/C19H20Cl2N2O/c1-22-18-8-6-13(11-4-7-16(20)17(21)10-11)14-5-3-12(9-15(14)18)19(24)23-2/h3-5,7,9-10,13,18,22H,6,8H2,1-2H3,(H,23,24)/t13-,18-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.80 | Baltruschat ChEMBL | 1 » 0 |