Molecule ID: mol1275
SMILES: O=C(O)/C=C/c1cccc(O)c1
InChI: InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | OCHEM | 0 » -1 |
| 4.40 | Hunt | 0 » -1 |
| 4.40 | Datawarrior | 0 » -1 |
| 4.40 | AttenGpKa training set | 0 » -1 |
| 4.40 | QSARToolbox | 0 » -1 |