Molecule ID: mol13850
SMILES: Cc1cccc(C)c1OCC(=O)O
InChI: InChI=1S/C10H12O3/c1-7-4-3-5-8(2)10(7)13-6-9(11)12/h3-5H,6H2,1-2H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.35 | QSARToolbox | 0 » -1 |
| 3.35 | QSARToolbox | 0 » -1 |
| 3.35 | OCHEM | 0 » -1 |
| 3.36 | QSARToolbox | 0 » -1 |
| 3.36 | QSARToolbox | 0 » -1 |
| 3.36 | OCHEM | 0 » -1 |
| 3.36 | Datawarrior | 0 » -1 |
| 3.36 | OCHEM | 0 » -1 |
| 3.36 | OCHEM | 0 » -1 |
| 3.36 | AttenGpKa training set | 0 » -1 |