Molecule ID: mol21893
SMILES: O=P(O)(O)OP(=O)(O)O
InChI: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.85 | AttenGpKa training set | 0 » -1 |
| 1.96 | AttenGpKa training set | 0 » -1 |
| 6.54 | AttenGpKa training set | -2 » -3 |
| 8.44 | AttenGpKa training set | -3 » -4 |