Molecule ID: mol14483
SMILES: OC(O)=C1c2ccccc2-c2ccccc21
InChI: InChI=1S/C14H10O2/c15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,15-16H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.01 | QSARToolbox | 0 » -1 |
| 2.01 | Datawarrior | 0 » -1 |
| 2.11 | AttenGpKa training set | 0 » -1 |
| 9.61 | AttenGpKa training set | -1 » -2 |
| 9.61 | Datawarrior | -1 » -2 |