Molecule ID: mol10216
SMILES: O=P(O)(O)Cc1ccccc1
InChI: InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.80 | IUPAC digitized pKa | 0 » -1 |
| 2.30 | QSARToolbox | 0 » -1 |
| 2.30 | IUPAC digitized pKa | 0 » -1 |
| 2.30 | AttenGpKa training set | 0 » -1 |
| 7.40 | IUPAC digitized pKa | -1 » -2 |
| 7.55 | IUPAC digitized pKa | -1 » -2 |
| 7.55 | AttenGpKa training set | -1 » -2 |
| 7.55 | QSARToolbox | -1 » -2 |
| 7.70 | OCHEM | -1 » -2 |