Molecule ID: mol15272
SMILES: O=C(O)c1cccc2cc3ccccc3cc12
InChI: InChI=1S/C15H10O2/c16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13/h1-9H,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.68 | OCHEM | 0 » -1 |
| 3.68 | QSARToolbox | 0 » -1 |
| 3.69 | QSARToolbox | 0 » -1 |
| 3.69 | QSARToolbox | 0 » -1 |
| 3.70 | Datawarrior | 0 » -1 |
| 3.70 | OCHEM | 0 » -1 |
| 3.72 | QSARToolbox | 0 » -1 |
| 5.40 | AttenGpKa training set | 0 » -1 |