Molecule ID: mol21633
SMILES: Cc1nc2c3c(c(C(=O)N(C)C)cc2n1C)CC[C@@H](c1ccc2ccccc2c1)O3
InChI: InChI=1S/C25H25N3O2/c1-15-26-23-21(28(15)4)14-20(25(29)27(2)3)19-11-12-22(30-24(19)23)18-10-9-16-7-5-6-8-17(16)13-18/h5-10,13-14,22H,11-12H2,1-4H3/t22-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.57 | Baltruschat ChEMBL | 1 » 0 |