Molecule ID: mol7262
SMILES: CCCc1nc(N)nc(N)c1Cc1ccc(Cl)cc1
InChI: InChI=1S/C14H17ClN4/c1-2-3-12-11(13(16)19-14(17)18-12)8-9-4-6-10(15)7-5-9/h4-7H,2-3,8H2,1H3,(H4,16,17,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.71 | IUPAC digitized pKa | 1 » 0 |
| 7.71 | AttenGpKa training set | 1 » 0 |