Molecule ID: mol28968
SMILES: O=C(O)c1cccc(P(=O)(O)O)c1
InChI: InChI=1S/C7H7O5P/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,8,9)(H2,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.55 | QSARToolbox | 0 » -1 |
| 1.55 | QSARToolbox | 0 » -1 |
| 1.55 | OCHEM | 0 » -1 |
| 1.55 | AttenGpKa training set | 0 » -1 |
| 4.03 | OCHEM | -1 » -2 |
| 4.03 | OCHEM | -1 » -2 |
| 4.03 | QSARToolbox | -1 » -2 |
| 4.03 | QSARToolbox | -1 » -2 |
| 4.20 | AttenGpKa training set | -1 » -2 |
| 7.03 | OCHEM | -2 » -3 |
| 7.03 | OCHEM | -2 » -3 |
| 7.41 | AttenGpKa training set | -2 » -3 |