Molecule ID: mol1848
SMILES: Nc1ncc2nccnc2n1
InChI: InChI=1S/C6H5N5/c7-6-10-3-4-5(11-6)9-2-1-8-4/h1-3H,(H2,7,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.26 | Hunt | 1 » 0 |
| 4.29 | QSARToolbox | 1 » 0 |
| 4.29 | AttenGpKa training set | 1 » 0 |
| 4.33 | IUPAC digitized pKa | 1 » 0 |
| 4.35 | IUPAC digitized pKa | 1 » 0 |
| 4.39 | QSARToolbox | 1 » 0 |