Molecule ID: mol19829
SMILES: CC(=O)Nc1nc2nc(C)ncc2cc1-c1c(Cl)cccc1Cl
InChI: InChI=1S/C16H12Cl2N4O/c1-8-19-7-10-6-11(14-12(17)4-3-5-13(14)18)16(21-9(2)23)22-15(10)20-8/h3-7H,1-2H3,(H,19,20,21,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.10 | Baltruschat ChEMBL | 1 » 0 |
| 12.80 | Baltruschat ChEMBL | 0 » -1 |