Molecule ID: mol28940
SMILES: CCc1ccc(P(=O)(O)O)cc1
InChI: InChI=1S/C8H11O3P/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.99 | AttenGpKa training set | 0 » -1 |
| 7.65 | AttenGpKa training set | -1 » -2 |