Molecule ID: mol28929
SMILES: O=P(O)(O)/C=C/c1ccccc1
InChI: InChI=1S/C8H9O3P/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,9,10,11)/b7-6+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.00 | AttenGpKa training set | 0 » -1 |
| 7.10 | AttenGpKa training set | -1 » -2 |