Molecule ID: mol7261
SMILES: Cc1nc(N)nc(N)c1Cc1ccc(Cl)cc1
InChI: InChI=1S/C12H13ClN4/c1-7-10(11(14)17-12(15)16-7)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H4,14,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.58 | IUPAC digitized pKa | 1 » 0 |
| 7.58 | AttenGpKa training set | 1 » 0 |