Molecule ID: mol751
SMILES: CCOC(=O)c1ccc(O)cc1
InChI: InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.30 | Baltruschat ChEMBL | 0 » -1 |
| 8.34 | IUPAC digitized pKa | 0 » -1 |
| 8.34 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.34 | OCHEM | 0 » -1 |
| 8.34 | OCHEM | 0 » -1 |
| 8.34 | Hunt | 0 » -1 |
| 8.34 | OCHEM | 0 » -1 |
| 8.34 | OCHEM | 0 » -1 |
| 8.34 | QSARToolbox | 0 » -1 |
| 8.37 | QSARToolbox | 0 » -1 |
| 8.44 | IUPAC digitized pKa | 0 » -1 |
| 8.50 | IUPAC digitized pKa | 0 » -1 |
| 8.50 | OCHEM | 0 » -1 |
| 8.50 | QSARToolbox | 0 » -1 |
| 8.50 | AttenGpKa training set | 0 » -1 |
| 9.34 | Datawarrior | 0 » -1 |
| 9.34 | OCHEM | 0 » -1 |