Molecule ID: mol7260
SMILES: CCc1nc(N)nc(N)c1Cc1ccc(Cl)cc1
InChI: InChI=1S/C13H15ClN4/c1-2-11-10(12(15)18-13(16)17-11)7-8-3-5-9(14)6-4-8/h3-6H,2,7H2,1H3,(H4,15,16,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.71 | IUPAC digitized pKa | 1 » 0 |
| 7.71 | AttenGpKa training set | 1 » 0 |