Molecule ID: mol15271
SMILES: O=C(O)c1ccc2cc3ccccc3cc2c1
InChI: InChI=1S/C15H10O2/c16-15(17)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13/h1-9H,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.18 | OCHEM | 0 » -1 |
| 4.18 | QSARToolbox | 0 » -1 |
| 4.18 | QSARToolbox | 0 » -1 |
| 4.18 | Datawarrior | 0 » -1 |
| 4.18 | OCHEM | 0 » -1 |
| 5.56 | AttenGpKa training set | 0 » -1 |