Molecule ID: mol28950
SMILES: O=P(O)(O)Cc1ccc(O)cc1
InChI: InChI=1S/C7H9O4P/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4,8H,5H2,(H2,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.89 | AttenGpKa training set | 0 » -1 |
| 7.20 | AttenGpKa training set | -1 » -2 |
| 9.30 | AttenGpKa training set | -2 » -3 |