Molecule ID: mol19828
SMILES: COC(=O)Nc1nc2nc(C)ncc2cc1-c1c(Cl)cccc1Cl
InChI: InChI=1S/C16H12Cl2N4O2/c1-8-19-7-9-6-10(13-11(17)4-3-5-12(13)18)15(21-14(9)20-8)22-16(23)24-2/h3-7H,1-2H3,(H,19,20,21,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | Baltruschat ChEMBL | 1 » 0 |
| 11.30 | Baltruschat ChEMBL | 0 » -1 |