Molecule ID: mol16198
SMILES: CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
InChI: InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.70 | QSARToolbox | 0 » -1 |
| 4.75 | OCHEM | 0 » -1 |
| 4.85 | Baltruschat ChEMBL | 0 » -1 |
| 4.90 | Baltruschat ChEMBL | 0 » -1 |
| 4.94 | OCHEM | 0 » -1 |
| 5.00 | OCHEM | 0 » -1 |
| 5.02 | OCHEM | 0 » -1 |
| 5.02 | OCHEM | 0 » -1 |
| 5.03 | QSARToolbox | 0 » -1 |
| 5.04 | AttenGpKa training set | 0 » -1 |
| 5.10 | Baltruschat ChEMBL | 0 » -1 |
| 5.10 | Baltruschat ChEMBL | 0 » -1 |