Molecule ID: mol1134
SMILES: O=C(O)C(c1ccccc1)c1ccccc1
InChI: InChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.92 | AttenGpKa training set | 0 » -1 |
| 3.94 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.94 | OCHEM | 0 » -1 |
| 3.94 | OCHEM | 0 » -1 |
| 3.94 | OCHEM | 0 » -1 |
| 3.94 | Hunt | 0 » -1 |
| 3.94 | OCHEM | 0 » -1 |
| 3.94 | OCHEM | 0 » -1 |
| 3.94 | OCHEM | 0 » -1 |
| 3.94 | OCHEM | 0 » -1 |
| 3.94 | OCHEM | 0 » -1 |
| 3.94 | QSARToolbox | 0 » -1 |
| 3.94 | QSARToolbox | 0 » -1 |
| 3.94 | QSARToolbox | 0 » -1 |