Molecule ID: mol13768
SMILES: O=C(O)c1nc2cc(Cl)ccc2[nH]1
InChI: InChI=1S/C8H5ClN2O2/c9-4-1-2-5-6(3-4)11-7(10-5)8(12)13/h1-3H,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.30 | Datawarrior | 0 » -1 |
| 4.30 | QSARToolbox | 0 » -1 |
| 4.30 | OCHEM | 0 » -1 |
| 12.70 | QSARToolbox | -1 » -2 |