Molecule ID: mol12859
SMILES: Cc1c(Cl)ccc2c1nnn2O
InChI: InChI=1S/C7H6ClN3O/c1-4-5(8)2-3-6-7(4)9-10-11(6)12/h2-3,12H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.09 | Datawarrior | 0 » -1 |
| 4.09 | AttenGpKa training set | 0 » -1 |
| 4.09 | QSARToolbox | 0 » -1 |
| 4.09 | OCHEM | 0 » -1 |