Molecule ID: mol7308
SMILES: Cc1nc(N)nc(N)c1-c1ccccc1
InChI: InChI=1S/C11H12N4/c1-7-9(8-5-3-2-4-6-8)10(12)15-11(13)14-7/h2-6H,1H3,(H4,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.40 | IUPAC digitized pKa | 1 » 0 |
| 7.40 | OCHEM | 1 » 0 |
| 7.40 | AttenGpKa training set | 1 » 0 |
| 7.40 | QSARToolbox | 1 » 0 |