Molecule ID: mol12662
SMILES: N#CCc1ccc(C(=O)O)cc1
InChI: InChI=1S/C9H7NO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.07 | AttenGpKa training set | 0 » -1 |
| 4.09 | Datawarrior | 0 » -1 |
| 4.09 | OCHEM | 0 » -1 |