Molecule ID: mol2060
SMILES: O=C(O)c1cccc(Oc2ccccc2)c1
InChI: InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.92 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.92 | OCHEM | 0 » -1 |
| 3.92 | OCHEM | 0 » -1 |
| 3.92 | OCHEM | 0 » -1 |
| 3.92 | OCHEM | 0 » -1 |
| 3.92 | OCHEM | 0 » -1 |
| 3.95 | Datawarrior | 0 » -1 |
| 3.95 | OCHEM | 0 » -1 |
| 3.95 | OCHEM | 0 » -1 |
| 3.95 | OCHEM | 0 » -1 |
| 3.95 | Hunt | 0 » -1 |
| 3.95 | OCHEM | 0 » -1 |
| 3.95 | AttenGpKa training set | 0 » -1 |
| 3.95 | QSARToolbox | 0 » -1 |
| 3.95 | QSARToolbox | 0 » -1 |
| 3.95 | QSARToolbox | 0 » -1 |
| 3.95 | QSARToolbox | 0 » -1 |
| 3.95 | QSARToolbox | 0 » -1 |