Molecule ID: mol8196
SMILES: Cc1nc2c(=O)[nH]c(=O)[nH]c2n(CCO)c1=O
InChI: InChI=1S/C9H10N4O4/c1-4-8(16)13(2-3-14)6-5(10-4)7(15)12-9(17)11-6/h14H,2-3H2,1H3,(H2,11,12,15,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | IUPAC digitized pKa | 0 » -1 |
| 4.00 | AttenGpKa training set | 0 » -1 |
| 13.10 | IUPAC digitized pKa | -2 » -3 |
| 13.15 | AttenGpKa training set | -2 » -3 |