Molecule ID: mol10885
SMILES: CCOC(=O)c1cccc(O)c1
InChI: InChI=1S/C9H10O3/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6,10H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.05 | Datawarrior | 0 » -1 |
| 9.05 | QSARToolbox | 0 » -1 |
| 9.05 | OCHEM | 0 » -1 |
| 9.10 | IUPAC digitized pKa | 0 » -1 |
| 9.10 | OCHEM | 0 » -1 |
| 9.12 | AttenGpKa training set | 0 » -1 |