Molecule ID: mol13270
SMILES: N#CC(CC(=O)O)Cc1ccccc1
InChI: InChI=1S/C11H11NO2/c12-8-10(7-11(13)14)6-9-4-2-1-3-5-9/h1-5,10H,6-7H2,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.91 | Datawarrior | 0 » -1 |
| 3.91 | AttenGpKa training set | 0 » -1 |
| 3.91 | QSARToolbox | 0 » -1 |
| 3.91 | OCHEM | 0 » -1 |