Molecule ID: mol10902
SMILES: COC(=O)c1ccc(O)c(OC)c1
InChI: InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.30 | IUPAC digitized pKa | 0 » -1 |
| 8.30 | OCHEM | 0 » -1 |
| 8.30 | AttenGpKa training set | 0 » -1 |