Molecule ID: mol12757
SMILES: Clc1cccc(-c2nnn[nH]2)c1
InChI: InChI=1S/C7H5ClN4/c8-6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.94 | AttenGpKa training set | 1 » 0 |
| 3.61 | QSARToolbox | 0 » -1 |
| 3.61 | OCHEM | 0 » -1 |
| 3.61 | Datawarrior | 0 » -1 |