Molecule ID: mol11138
SMILES: CCOP(=O)(O)COc1ccc(Cl)cc1
InChI: InChI=1S/C9H12ClO4P/c1-2-14-15(11,12)7-13-9-5-3-8(10)4-6-9/h3-6H,2,7H2,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.91 | AttenGpKa training set | 0 » -1 |
| 0.93 | IUPAC digitized pKa | 0 » -1 |
| 0.93 | QSARToolbox | 0 » -1 |