Molecule ID: mol29
SMILES: CC(C(=O)O)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1
InChI: InChI=1S/C16H13ClFNO3/c1-10(16(21)22)19(12-7-8-14(18)13(17)9-12)15(20)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.60 | AttenGpKa training set | 0 » -1 |
| 3.72 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.72 | OCHEM | 0 » -1 |
| 3.72 | OCHEM | 0 » -1 |
| 3.72 | QSARToolbox | 0 » -1 |
| 3.73 | OCHEM | 0 » -1 |
| 3.73 | AvLiLuMoVe | 0 » -1 |
| 3.73 | Settimo | 0 » -1 |
| 3.73 | QSARToolbox | 0 » -1 |