Molecule ID: mol12556
SMILES: O=C(O)CC(O)c1ccccc1
InChI: InChI=1S/C9H10O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.39 | OCHEM | 0 » -1 |
| 4.40 | Datawarrior | 0 » -1 |
| 4.40 | AttenGpKa training set | 0 » -1 |
| 4.40 | QSARToolbox | 0 » -1 |
| 4.40 | QSARToolbox | 0 » -1 |
| 4.40 | OCHEM | 0 » -1 |