Molecule ID: mol11338
SMILES: O=P(O)(O)Oc1cccc2ccccc12
InChI: InChI=1S/C10H9O4P/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.97 | IUPAC digitized pKa | 0 » -1 |
| 0.97 | OCHEM | 0 » -1 |
| 0.97 | QSARToolbox | 0 » -1 |
| 1.13 | AttenGpKa training set | 0 » -1 |
| 5.84 | AttenGpKa training set | -1 » -2 |
| 5.85 | QSARToolbox | -1 » -2 |
| 5.85 | IUPAC digitized pKa | -1 » -2 |
| 5.85 | OCHEM | -1 » -2 |