Molecule ID: mol1273
SMILES: O=C(O)C(O)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.04 | QSARToolbox | 0 » -1 |
| 3.05 | QSARToolbox | 0 » -1 |
| 3.05 | QSARToolbox | 0 » -1 |
| 3.05 | QSARToolbox | 0 » -1 |
| 3.05 | Datawarrior | 0 » -1 |
| 3.05 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.05 | OCHEM | 0 » -1 |
| 3.05 | OCHEM | 0 » -1 |
| 3.05 | OCHEM | 0 » -1 |
| 3.05 | Hunt | 0 » -1 |
| 3.05 | OCHEM | 0 » -1 |
| 3.05 | OCHEM | 0 » -1 |
| 3.05 | OCHEM | 0 » -1 |
| 3.05 | OCHEM | 0 » -1 |
| 3.05 | AttenGpKa training set | 0 » -1 |
| 3.09 | OCHEM | 0 » -1 |
| 3.09 | OCHEM | 0 » -1 |
| 3.50 | QSARToolbox | 0 » -1 |