Molecule ID: mol15142
SMILES: CC(C)N/C=N/c1ccc(-c2c[nH]cn2)cc1
InChI: InChI=1S/C13H16N4/c1-10(2)15-9-16-12-5-3-11(4-6-12)13-7-14-8-17-13/h3-10H,1-2H3,(H,14,17)(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.58 | QSARToolbox | 2 » 1 |
| 5.58 | QSARToolbox | 2 » 1 |
| 5.58 | Datawarrior | 2 » 1 |
| 5.58 | Baltruschat ChEMBL | 2 » 1 |
| 8.88 | Datawarrior | 1 » 0 |
| 8.88 | Baltruschat ChEMBL | 1 » 0 |
| 8.88 | OCHEM | 1 » 0 |
| 8.88 | QSARToolbox | 1 » 0 |