Molecule ID: mol14324
SMILES: N#CC(CCCC(=O)O)c1ccccc1
InChI: InChI=1S/C12H13NO2/c13-9-11(7-4-8-12(14)15)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-8H2,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.64 | QSARToolbox | 0 » -1 |
| 4.64 | OCHEM | 0 » -1 |
| 4.64 | Datawarrior | 0 » -1 |
| 4.64 | AttenGpKa training set | 0 » -1 |