Molecule ID: mol4929
SMILES: Nc1ncnc2c1cnn2-c1ccccc1
InChI: InChI=1S/C11H9N5/c12-10-9-6-15-16(11(9)14-7-13-10)8-4-2-1-3-5-8/h1-7H,(H2,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.85 | IUPAC digitized pKa | 1 » 0 |
| 3.89 | Datawarrior | 1 » 0 |
| 3.89 | OCHEM | 1 » 0 |
| 3.89 | QSARToolbox | 1 » 0 |