Molecule ID: mol19257
SMILES: CC(C(=O)O)c1cccc(Oc2ccccc2)c1
InChI: InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.50 | OCHEM | 0 » -1 |
| 4.50 | OCHEM | 0 » -1 |
| 4.50 | OCHEM | 0 » -1 |
| 4.50 | Baltruschat ChEMBL | 0 » -1 |
| 4.50 | Baltruschat ChEMBL | 0 » -1 |
| 4.50 | QSARToolbox | 0 » -1 |
| 4.50 | QSARToolbox | 0 » -1 |
| 4.50 | AttenGpKa training set | 0 » -1 |