Molecule ID: mol10117
SMILES: Cn1c(=O)[nH]c(=O)c2[nH]c(=O)cnc21
InChI: InChI=1S/C7H6N4O3/c1-11-5-4(6(13)10-7(11)14)9-3(12)2-8-5/h2H,1H3,(H,9,12)(H,10,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.62 | IUPAC digitized pKa | 0 » -1 |
| 9.85 | IUPAC digitized pKa | -1 » -2 |