Molecule ID: mol13733
SMILES: COCC1=C(C(=O)O)C2C=CC1C2
InChI: InChI=1S/C10H12O3/c1-13-5-8-6-2-3-7(4-6)9(8)10(11)12/h2-3,6-7H,4-5H2,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.59 | Datawarrior | 0 » -1 |
| 4.59 | QSARToolbox | 0 » -1 |
| 4.59 | QSARToolbox | 0 » -1 |
| 4.59 | OCHEM | 0 » -1 |