Molecule ID: mol10690
SMILES: O=c1cnn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1
InChI: InChI=1S/C8H11N3O6/c12-2-3-5(14)6(15)7(17-3)11-8(16)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10,13,16)/t3-,5-,6-,7-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.70 | IUPAC digitized pKa | 0 » -1 |
| 6.70 | IUPAC digitized pKa | 0 » -1 |
| 6.70 | AttenGpKa training set | 0 » -1 |