Molecule ID: mol11686
SMILES: O=c1cnc2c(=O)[nH]c(=O)n(-c3ccccc3)c2[nH]1
InChI: InChI=1S/C12H8N4O3/c17-8-6-13-9-10(14-8)16(12(19)15-11(9)18)7-4-2-1-3-5-7/h1-6H,(H,14,17)(H,15,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.95 | IUPAC digitized pKa | 0 » -1 |
| 9.46 | IUPAC digitized pKa | 1 » 0 |