Molecule ID: mol4936
SMILES: CCCCNc1ncnc2c1cnn2C
InChI: InChI=1S/C10H15N5/c1-3-4-5-11-9-8-6-14-15(2)10(8)13-7-12-9/h6-7H,3-5H2,1-2H3,(H,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.18 | IUPAC digitized pKa | 1 » 0 |
| 4.22 | QSARToolbox | 1 » 0 |
| 4.22 | OCHEM | 1 » 0 |
| 4.22 | Datawarrior | 1 » 0 |