Molecule ID: mol1302
SMILES: COc1cccc(/C=C/C(=O)O)c1
InChI: InChI=1S/C10H10O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-7H,1H3,(H,11,12)/b6-5+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.38 | Datawarrior | 0 » -1 |
| 4.38 | OCHEM | 0 » -1 |
| 4.38 | Hunt | 0 » -1 |
| 4.38 | AttenGpKa training set | 0 » -1 |
| 4.38 | QSARToolbox | 0 » -1 |