Molecule ID: mol20077
SMILES: CN1CC[C@H]2CCC[C@@H](NC(=O)c3ccc(Cl)c(Cl)c3)[C@H]2C1
InChI: InChI=1S/C17H22Cl2N2O/c1-21-8-7-11-3-2-4-16(13(11)10-21)20-17(22)12-5-6-14(18)15(19)9-12/h5-6,9,11,13,16H,2-4,7-8,10H2,1H3,(H,20,22)/t11-,13+,16-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.05 | Baltruschat ChEMBL | 1 » 0 |