Molecule ID: mol10278
SMILES: N#Cc1cc(Cl)c(O)c(Cl)c1
InChI: InChI=1S/C7H3Cl2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.23 | QSARToolbox | 0 » -1 |
| 4.28 | AttenGpKa training set | 0 » -1 |
| 4.31 | OCHEM | 0 » -1 |
| 4.38 | IUPAC digitized pKa | 0 » -1 |
| 4.38 | QSARToolbox | 0 » -1 |
| 4.38 | QSARToolbox | 0 » -1 |
| 4.90 | OCHEM | 0 » -1 |