Molecule ID: mol16609
SMILES: COC(=O)c1nc(-c2ccncc2)[nH]c1C(=O)OC
InChI: InChI=1S/C12H11N3O4/c1-18-11(16)8-9(12(17)19-2)15-10(14-8)7-3-5-13-6-4-7/h3-6H,1-2H3,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.98 | Baltruschat ChEMBL | 1 » 0 |
| 7.15 | Baltruschat ChEMBL | 0 » -1 |