Molecule ID: mol27259
SMILES: O=C(NCO)c1ccc(Cl)cc1Cl
InChI: InChI=1S/C8H7Cl2NO2/c9-5-1-2-6(7(10)3-5)8(13)11-4-12/h1-3,12H,4H2,(H,11,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 13.00 | QSARToolbox | -1 » -2 |
| 13.04 | QSARToolbox | -1 » -2 |
| 13.04 | AttenGpKa training set | -1 » -2 |