Molecule ID: mol33033
SMILES: NC(C(=O)O)C(O)C(F)(F)F
InChI: InChI=1S/C4H6F3NO3/c5-4(6,7)2(9)1(8)3(10)11/h1-2,9H,8H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.55 | QSARToolbox | 1 » 0 |
| 1.55 | OCHEM | 1 » 0 |
| 1.55 | QSARToolbox | 1 » 0 |
| 7.82 | OCHEM | 0 » -1 |
| 7.82 | QSARToolbox | 0 » -1 |