Molecule ID: mol355
SMILES: O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O
InChI: InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.94 | AttenGpKa training set | 0 » -1 |
| 3.00 | OCHEM | 0 » -1 |
| 3.00 | OCHEM | 0 » -1 |
| 3.00 | Baltruschat ChEMBL | 0 » -1 |
| 3.00 | Settimo | 0 » -1 |
| 3.00 | Settimo | 0 » -1 |
| 3.30 | OCHEM | 0 » -1 |
| 3.30 | OCHEM | 0 » -1 |
| 3.30 | OCHEM | 0 » -1 |
| 3.30 | Baltruschat ChEMBL | 0 » -1 |