Molecule ID: mol7023
SMILES: Nc1ncc(-c2ccc(Cl)cc2)cn1
InChI: InChI=1S/C10H8ClN3/c11-9-3-1-7(2-4-9)8-5-13-10(12)14-6-8/h1-6H,(H2,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.14 | OCHEM | 1 » 0 |
| 3.14 | AttenGpKa training set | 1 » 0 |
| 3.14 | QSARToolbox | 1 » 0 |