Molecule ID: mol17756
SMILES: CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(C(N)=O)cc21
InChI: InChI=1S/C18H18Cl2N2O/c1-22-17-7-5-12(10-3-6-15(19)16(20)9-10)13-4-2-11(18(21)23)8-14(13)17/h2-4,6,8-9,12,17,22H,5,7H2,1H3,(H2,21,23)/t12-,17-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | Baltruschat ChEMBL | 1 » 0 |