Molecule ID: mol28938
SMILES: Cc1cc(C)cc(P(=O)(O)O)c1
InChI: InChI=1S/C8H11O3P/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.01 | AttenGpKa training set | 0 » -1 |
| 7.73 | AttenGpKa training set | -1 » -2 |