Molecule ID: mol13269
SMILES: N#CCCC(C(=O)O)c1ccccc1
InChI: InChI=1S/C11H11NO2/c12-8-4-7-10(11(13)14)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7H2,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.92 | Datawarrior | 0 » -1 |
| 3.92 | AttenGpKa training set | 0 » -1 |
| 3.92 | QSARToolbox | 0 » -1 |
| 3.92 | OCHEM | 0 » -1 |