Molecule ID: mol2481
SMILES: Nc1ccc2nccnc2n1
InChI: InChI=1S/C7H6N4/c8-6-2-1-5-7(11-6)10-4-3-9-5/h1-4H,(H2,8,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.00 | Hunt | 2 » 1 |
| -2.00 | Hunt | 2 » 1 |
| -2.00 | Hunt | 2 » 1 |
| -2.00 | Hunt | 2 » 1 |
| -2.00 | QSARToolbox | 2 » 1 |
| 4.25 | IUPAC digitized pKa | 1 » 0 |
| 4.25 | Hunt | 1 » 0 |
| 4.25 | Hunt | 1 » 0 |
| 4.25 | Hunt | 1 » 0 |
| 4.25 | OCHEM | 1 » 0 |
| 4.25 | QSARToolbox | 1 » 0 |