Molecule ID: mol970
SMILES: CC(C)Oc1cccc(C(=O)O)c1
InChI: InChI=1S/C10H12O3/c1-7(2)13-9-5-3-4-8(6-9)10(11)12/h3-7H,1-2H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.15 | Datawarrior | 0 » -1 |
| 4.15 | OCHEM | 0 » -1 |
| 4.15 | Hunt | 0 » -1 |
| 4.15 | OCHEM | 0 » -1 |
| 4.15 | AttenGpKa training set | 0 » -1 |
| 4.15 | QSARToolbox | 0 » -1 |
| 4.15 | QSARToolbox | 0 » -1 |
| 4.15 | OCHEM | 0 » -1 |