Molecule ID: mol28946
SMILES: COc1cccc(P(=O)(O)O)c1
InChI: InChI=1S/C7H9O4P/c1-11-6-3-2-4-7(5-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.74 | AttenGpKa training set | 0 » -1 |
| 7.42 | AttenGpKa training set | -1 » -2 |