Molecule ID: mol1789
SMILES: O=C(O)c1c(O)ccc2ccccc12
InChI: InChI=1S/C11H8O3/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14/h1-6,12H,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.29 | Hunt | 0 » -1 |
| 10.92 | Datawarrior | -1 » -2 |
| 10.92 | OCHEM | -1 » -2 |
| 10.92 | QSARToolbox | -1 » -2 |