Molecule ID: mol33029
SMILES: NC(CCCC(F)(F)F)C(=O)O
InChI: InChI=1S/C6H10F3NO2/c7-6(8,9)3-1-2-4(10)5(11)12/h4H,1-3,10H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.16 | QSARToolbox | 1 » 0 |
| 2.16 | QSARToolbox | 1 » 0 |
| 2.16 | OCHEM | 1 » 0 |
| 2.16 | QSARToolbox | 1 » 0 |
| 9.46 | QSARToolbox | 0 » -1 |
| 9.50 | OCHEM | 0 » -1 |