Molecule ID: mol7276
SMILES: CCc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1
InChI: InChI=1S/C12H12Cl2N4/c1-2-9-10(11(15)18-12(16)17-9)6-3-4-7(13)8(14)5-6/h3-5H,2H2,1H3,(H4,15,16,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | QSARToolbox | 1 » 0 |
| 7.20 | IUPAC digitized pKa | 1 » 0 |
| 7.20 | OCHEM | 1 » 0 |
| 7.20 | AttenGpKa training set | 1 » 0 |