Molecule ID: mol1063
SMILES: COc1cccc(C(=O)O)c1CO
InChI: InChI=1S/C9H10O4/c1-13-8-4-2-3-6(9(11)12)7(8)5-10/h2-4,10H,5H2,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.58 | QSARToolbox | 0 » -1 |
| 3.58 | QSARToolbox | 0 » -1 |
| 3.58 | Hunt | 0 » -1 |
| 3.58 | OCHEM | 0 » -1 |