Molecule ID: mol1107
SMILES: O=C(O)c1cccc2c1C(=O)c1ccccc1C2=O
InChI: InChI=1S/C15H8O4/c16-13-8-4-1-2-5-9(8)14(17)12-10(13)6-3-7-11(12)15(18)19/h1-7H,(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.37 | QSARToolbox | 0 » -1 |
| 3.37 | QSARToolbox | 0 » -1 |
| 3.37 | Hunt | 0 » -1 |
| 3.37 | OCHEM | 0 » -1 |
| 3.37 | AttenGpKa training set | 0 » -1 |