Molecule ID: mol27332
SMILES: O=C(NC(=O)c1ccccc1)OCC(Cl)(Cl)Cl
InChI: InChI=1S/C10H8Cl3NO3/c11-10(12,13)6-17-9(16)14-8(15)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.10 | AttenGpKa training set | 0 » -1 |
| 9.10 | QSARToolbox | 0 » -1 |