Molecule ID: mol8017
SMILES: Nc1nc(N)c2cccnc2n1
InChI: InChI=1S/C7H7N5/c8-5-4-2-1-3-10-6(4)12-7(9)11-5/h1-3H,(H4,8,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.62 | QSARToolbox | 1 » 0 |
| 6.62 | IUPAC digitized pKa | 1 » 0 |
| 6.62 | OCHEM | 1 » 0 |
| 6.62 | AttenGpKa training set | 1 » 0 |