Molecule ID: mol11176
SMILES: O=C(O)CC#Cc1ccccc1
InChI: InChI=1S/C10H8O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,8H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.43 | AttenGpKa training set | 0 » -1 |
| 3.44 | IUPAC digitized pKa | 0 » -1 |
| 3.44 | Datawarrior | 0 » -1 |
| 3.44 | QSARToolbox | 0 » -1 |
| 3.44 | QSARToolbox | 0 » -1 |
| 3.44 | OCHEM | 0 » -1 |