Molecule ID: mol21627
SMILES: Cc1nc2c3c(c(C(=O)N(C)C)cc2n1C)CC[C@@H](c1ccc(Cl)cc1)O3
InChI: InChI=1S/C21H22ClN3O2/c1-12-23-19-17(25(12)4)11-16(21(26)24(2)3)15-9-10-18(27-20(15)19)13-5-7-14(22)8-6-13/h5-8,11,18H,9-10H2,1-4H3/t18-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.59 | Baltruschat ChEMBL | 1 » 0 |