Molecule ID: mol9699
SMILES: Cn1c(=O)[nH]c2[nH]c(=O)[nH]c(=O)c21
InChI: InChI=1S/C6H6N4O3/c1-10-2-3(8-6(10)13)7-5(12)9-4(2)11/h1H3,(H3,7,8,9,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.60 | IUPAC digitized pKa | 0 » -1 |
| 10.30 | IUPAC digitized pKa | -1 » -2 |