Molecule ID: mol13734
SMILES: COC1=CC2CCC1(C(=O)O)CC2
InChI: InChI=1S/C10H14O3/c1-13-8-6-7-2-4-10(8,5-3-7)9(11)12/h6-7H,2-5H2,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.45 | OCHEM | 0 » -1 |
| 4.45 | QSARToolbox | 0 » -1 |
| 4.45 | QSARToolbox | 0 » -1 |
| 4.45 | Datawarrior | 0 » -1 |