Molecule ID: mol7249
SMILES: Cc1nc(N)nc(N)c1Cc1ccccc1
InChI: InChI=1S/C12H14N4/c1-8-10(11(13)16-12(14)15-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H4,13,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.62 | IUPAC digitized pKa | 1 » 0 |
| 7.62 | AttenGpKa training set | 1 » 0 |