Molecule ID: mol4960
SMILES: CCCNc1ncnc2c1cnn2C
InChI: InChI=1S/C9H13N5/c1-3-4-10-8-7-5-13-14(2)9(7)12-6-11-8/h5-6H,3-4H2,1-2H3,(H,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.21 | IUPAC digitized pKa | 1 » 0 |
| 4.25 | Datawarrior | 1 » 0 |
| 4.25 | OCHEM | 1 » 0 |
| 4.25 | QSARToolbox | 1 » 0 |