Molecule ID: mol21632
SMILES: Cc1nc2c3c(c(C(=O)N(C)C)cc2n1C)CC[C@@H](c1ccc(Cl)cc1Cl)O3
InChI: InChI=1S/C21H21Cl2N3O2/c1-11-24-19-17(26(11)4)10-15(21(27)25(2)3)13-7-8-18(28-20(13)19)14-6-5-12(22)9-16(14)23/h5-6,9-10,18H,7-8H2,1-4H3/t18-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.36 | Baltruschat ChEMBL | 1 » 0 |