Molecule ID: mol2127
SMILES: Nc1ccc(N)nc1
InChI: InChI=1S/C5H7N3/c6-4-1-2-5(7)8-3-4/h1-3H,6H2,(H2,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.13 | IUPAC digitized pKa | 2 » 1 |
| 2.13 | OCHEM | 2 » 1 |
| 2.13 | Hunt | 2 » 1 |
| 2.13 | QSARToolbox | 2 » 1 |
| 6.48 | IUPAC digitized pKa | 1 » 0 |
| 6.48 | OCHEM | 1 » 0 |
| 6.48 | OCHEM | 1 » 0 |
| 6.48 | Hunt | 1 » 0 |
| 6.48 | Hunt | 1 » 0 |
| 6.48 | Hunt | 1 » 0 |
| 6.48 | OCHEM | 1 » 0 |
| 6.48 | OCHEM | 1 » 0 |
| 6.48 | QSARToolbox | 1 » 0 |