Molecule ID: mol4830
SMILES: CNc1ncc2nccnc2n1
InChI: InChI=1S/C7H7N5/c1-8-7-11-4-5-6(12-7)10-3-2-9-5/h2-4H,1H3,(H,8,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.59 | IUPAC digitized pKa | 1 » 0 |
| 3.62 | QSARToolbox | 1 » 0 |
| 3.62 | AttenGpKa training set | 1 » 0 |