Molecule ID: mol12721
SMILES: O=C(O)c1cccc(C2CC2)c1
InChI: InChI=1S/C10H10O2/c11-10(12)9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.28 | Datawarrior | 0 » -1 |
| 4.28 | OCHEM | 0 » -1 |
| 4.28 | AttenGpKa training set | 0 » -1 |
| 4.28 | OCHEM | 0 » -1 |
| 4.28 | QSARToolbox | 0 » -1 |
| 4.28 | QSARToolbox | 0 » -1 |