Molecule ID: mol667
SMILES: O=C(O)C1(O)c2ccccc2-c2ccccc21
InChI: InChI=1S/C14H10O3/c15-13(16)14(17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,17H,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.09 | OCHEM | 0 » -1 |
| 1.09 | Hunt | 0 » -1 |
| 1.09 | OCHEM | 0 » -1 |
| 1.09 | OCHEM | 0 » -1 |
| 1.09 | OCHEM | 0 » -1 |
| 2.92 | Datawarrior | 0 » -1 |
| 2.92 | QSARToolbox | 0 » -1 |
| 2.92 | QSARToolbox | 0 » -1 |
| 2.92 | OCHEM | 0 » -1 |
| 2.93 | AttenGpKa training set | 0 » -1 |