Molecule ID: mol27228
SMILES: O=C(NCO)c1ccc(Cl)cc1
InChI: InChI=1S/C8H8ClNO2/c9-7-3-1-6(2-4-7)8(12)10-5-11/h1-4,11H,5H2,(H,10,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 13.00 | QSARToolbox | -1 » -2 |
| 13.04 | QSARToolbox | -1 » -2 |
| 13.05 | AttenGpKa training set | -1 » -2 |