Molecule ID: mol13258
SMILES: N#CC(CCC(=O)O)c1ccccc1
InChI: InChI=1S/C11H11NO2/c12-8-10(6-7-11(13)14)9-4-2-1-3-5-9/h1-5,10H,6-7H2,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | Datawarrior | 0 » -1 |
| 4.40 | AttenGpKa training set | 0 » -1 |
| 4.40 | QSARToolbox | 0 » -1 |
| 4.40 | QSARToolbox | 0 » -1 |
| 4.40 | OCHEM | 0 » -1 |