Molecule ID: mol986
SMILES: O=C(O)c1ccccc1Oc1ccccc1
InChI: InChI=1S/C13H10O3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.53 | QSARToolbox | 0 » -1 |
| 3.53 | QSARToolbox | 0 » -1 |
| 3.53 | QSARToolbox | 0 » -1 |
| 3.53 | Datawarrior | 0 » -1 |
| 3.53 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.53 | OCHEM | 0 » -1 |
| 3.53 | OCHEM | 0 » -1 |
| 3.53 | OCHEM | 0 » -1 |
| 3.53 | OCHEM | 0 » -1 |
| 3.53 | Hunt | 0 » -1 |
| 3.53 | OCHEM | 0 » -1 |
| 3.53 | OCHEM | 0 » -1 |
| 3.53 | OCHEM | 0 » -1 |
| 3.53 | OCHEM | 0 » -1 |
| 3.53 | OCHEM | 0 » -1 |
| 3.53 | AttenGpKa training set | 0 » -1 |