Molecule ID: mol1108
SMILES: O=C(O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChI: InChI=1S/C15H8O4/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13/h1-7H,(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.42 | Hunt | 0 » -1 |
| 3.42 | OCHEM | 0 » -1 |
| 3.42 | AttenGpKa training set | 0 » -1 |
| 3.42 | QSARToolbox | 0 » -1 |
| 3.42 | QSARToolbox | 0 » -1 |