Molecule ID: mol13927
SMILES: N#CCC(C(=O)O)c1ccccc1
InChI: InChI=1S/C10H9NO2/c11-7-6-9(10(12)13)8-4-2-1-3-5-8/h1-5,9H,6H2,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.44 | Datawarrior | 0 » -1 |
| 3.44 | AttenGpKa training set | 0 » -1 |
| 3.44 | QSARToolbox | 0 » -1 |
| 3.44 | OCHEM | 0 » -1 |