Molecule ID: mol7268
SMILES: CC(C)Cc1nc(N)nc(N)c1-c1ccc(Cl)cc1
InChI: InChI=1S/C14H17ClN4/c1-8(2)7-11-12(13(16)19-14(17)18-11)9-3-5-10(15)6-4-9/h3-6,8H,7H2,1-2H3,(H4,16,17,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.39 | IUPAC digitized pKa | 1 » 0 |
| 7.39 | OCHEM | 1 » 0 |
| 7.39 | AttenGpKa training set | 1 » 0 |