Molecule ID: mol15273
SMILES: O=C(O)c1c2ccccc2cc2ccccc12
InChI: InChI=1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.65 | Datawarrior | 0 » -1 |
| 3.65 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.65 | OCHEM | 0 » -1 |
| 3.65 | OCHEM | 0 » -1 |
| 3.65 | QSARToolbox | 0 » -1 |
| 3.65 | QSARToolbox | 0 » -1 |
| 3.65 | QSARToolbox | 0 » -1 |
| 3.65 | QSARToolbox | 0 » -1 |
| 3.65 | OCHEM | 0 » -1 |
| 4.02 | AttenGpKa training set | 0 » -1 |