Molecule ID: mol833
SMILES: O=C(O)CP(=O)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C14H13O3P/c15-14(16)11-18(17,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.62 | QSARToolbox | 0 » -1 |
| 3.62 | QSARToolbox | 0 » -1 |
| 3.62 | IUPAC digitized pKa | 0 » -1 |
| 3.62 | Hunt | 0 » -1 |