Molecule ID: mol18355
SMILES: CC(=O)Nc1ccc2nc(C(C)(C)CCN(C)C)ccc2c1
InChI: InChI=1S/C18H25N3O/c1-13(22)19-15-7-8-16-14(12-15)6-9-17(20-16)18(2,3)10-11-21(4)5/h6-9,12H,10-11H2,1-5H3,(H,19,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.22 | OCHEM | 2 » 1 |
| 6.22 | Baltruschat ChEMBL | 2 » 1 |
| 12.37 | OCHEM | 0 » -1 |
| 12.37 | Baltruschat ChEMBL | 0 » -1 |