Molecule ID: mol999
SMILES: O=C(O)c1ccc(Oc2ccccc2)cc1
InChI: InChI=1S/C13H10O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.52 | QSARToolbox | 0 » -1 |
| 4.52 | QSARToolbox | 0 » -1 |
| 4.52 | Datawarrior | 0 » -1 |
| 4.52 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.52 | OCHEM | 0 » -1 |
| 4.52 | OCHEM | 0 » -1 |
| 4.52 | OCHEM | 0 » -1 |
| 4.52 | OCHEM | 0 » -1 |
| 4.52 | Hunt | 0 » -1 |
| 4.52 | OCHEM | 0 » -1 |
| 4.52 | OCHEM | 0 » -1 |
| 4.52 | OCHEM | 0 » -1 |
| 4.52 | OCHEM | 0 » -1 |
| 4.52 | OCHEM | 0 » -1 |
| 4.52 | AttenGpKa training set | 0 » -1 |
| 4.57 | QSARToolbox | 0 » -1 |