Molecule ID: mol12858
SMILES: Cc1cc2nnn(O)c2cc1Cl
InChI: InChI=1S/C7H6ClN3O/c1-4-2-6-7(3-5(4)8)11(12)10-9-6/h2-3,12H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.57 | Datawarrior | 0 » -1 |
| 4.57 | AttenGpKa training set | 0 » -1 |
| 4.57 | QSARToolbox | 0 » -1 |
| 4.57 | OCHEM | 0 » -1 |