Molecule ID: mol10385
SMILES: O=C(O)c1oc(C(=O)O)c(C(=O)O)c1C(=O)O
InChI: InChI=1S/C8H4O9/c9-5(10)1-2(6(11)12)4(8(15)16)17-3(1)7(13)14/h(H,9,10)(H,11,12)(H,13,14)(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.38 | AttenGpKa training set | 0 » -1 |
| 1.10 | AttenGpKa training set | 0 » -1 |
| 2.73 | AttenGpKa training set | -2 » -3 |
| 6.71 | AttenGpKa training set | -3 » -4 |