Molecule ID: mol6823
SMILES: Clc1cn[nH]c1
InChI: InChI=1S/C3H3ClN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.60 | IUPAC digitized pKa | 1 » 0 |
| 0.60 | AttenGpKa training set | 1 » 0 |
| 1.24 | Datawarrior | 1 » 0 |
| 1.24 | OCHEM | 1 » 0 |
| 2.03 | QSARToolbox | 1 » 0 |