Molecule ID: mol1305
SMILES: COc1ccc(/C=C/C(=O)O)cc1
InChI: InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.54 | QSARToolbox | 0 » -1 |
| 4.54 | OCHEM | 0 » -1 |
| 4.54 | Hunt | 0 » -1 |
| 4.54 | AttenGpKa training set | 0 » -1 |
| 4.60 | Datawarrior | 0 » -1 |
| 4.68 | QSARToolbox | 0 » -1 |