Molecule ID: mol10507
SMILES: Cn1c(=O)[nH]c2[nH]c(=O)c(C(=O)O)nc2c1=O
InChI: InChI=1S/C8H6N4O5/c1-12-6(14)2-4(11-8(12)17)10-5(13)3(9-2)7(15)16/h1H3,(H,15,16)(H2,10,11,13,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.80 | IUPAC digitized pKa | 0 » -1 |
| 6.00 | IUPAC digitized pKa | -1 » -2 |
| 10.60 | IUPAC digitized pKa | -2 » -3 |