Molecule ID: mol1172
SMILES: Cc1ccccc1/C=C/C(=O)O
InChI: InChI=1S/C10H10O2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.49 | Hunt | 0 » -1 |
| 4.50 | Datawarrior | 0 » -1 |
| 4.50 | AttenGpKa training set | 0 » -1 |