Molecule ID: mol7111
SMILES: Nc1ncc(-c2ccccc2)cn1
InChI: InChI=1S/C10H9N3/c11-10-12-6-9(7-13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.32 | QSARToolbox | 1 » 0 |
| 3.32 | IUPAC digitized pKa | 1 » 0 |
| 3.32 | OCHEM | 1 » 0 |