Molecule ID: mol14461
SMILES: N#CC(CCCCC(=O)O)c1ccccc1
InChI: InChI=1S/C13H15NO2/c14-10-12(8-4-5-9-13(15)16)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-9H2,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.75 | Datawarrior | 0 » -1 |
| 4.75 | OCHEM | 0 » -1 |
| 4.75 | QSARToolbox | 0 » -1 |
| 4.75 | AttenGpKa training set | 0 » -1 |