Molecule ID: mol11194
SMILES: O=C(O)c1ccc(C2CC2)cc1
InChI: InChI=1S/C10H10O2/c11-10(12)9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.42 | Datawarrior | 0 » -1 |
| 4.42 | AttenGpKa training set | 0 » -1 |
| 4.42 | QSARToolbox | 0 » -1 |
| 4.42 | QSARToolbox | 0 » -1 |
| 4.42 | OCHEM | 0 » -1 |
| 4.44 | IUPAC digitized pKa | 0 » -1 |
| 4.52 | IUPAC digitized pKa | 0 » -1 |