Molecule ID: mol13391
SMILES: COC(=O)c1nc2cc(Cl)ccc2[nH]1
InChI: InChI=1S/C9H7ClN2O2/c1-14-9(13)8-11-6-3-2-5(10)4-7(6)12-8/h2-4H,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.30 | Datawarrior | 1 » 0 |
| 0.30 | OCHEM | 1 » 0 |
| 0.30 | QSARToolbox | 1 » 0 |
| 9.60 | QSARToolbox | 0 » -1 |