Molecule ID: mol27359
SMILES: O=C(NC(=O)OCC(Cl)(Cl)Cl)OCc1ccccc1
InChI: InChI=1S/C11H10Cl3NO4/c12-11(13,14)7-19-10(17)15-9(16)18-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.80 | AttenGpKa training set | 0 » -1 |
| 9.80 | QSARToolbox | 0 » -1 |