Molecule ID: mol20242
SMILES: CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCN(C(CO)CO)C4)no2)cc1C#N
InChI: InChI=1S/C24H26N4O4/c1-15(2)31-22-7-6-16(10-18(22)11-25)24-26-23(27-32-24)21-5-3-4-17-12-28(9-8-20(17)21)19(13-29)14-30/h3-7,10,15,19,29-30H,8-9,12-14H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.30 | Baltruschat ChEMBL | 1 » 0 |