Molecule ID: mol7270
SMILES: CCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
InChI: InChI=1S/C13H15ClN4/c1-2-3-10-11(12(15)18-13(16)17-10)8-4-6-9(14)7-5-8/h4-7H,2-3H2,1H3,(H4,15,16,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.35 | QSARToolbox | 1 » 0 |
| 7.35 | IUPAC digitized pKa | 1 » 0 |
| 7.35 | OCHEM | 1 » 0 |
| 7.35 | AttenGpKa training set | 1 » 0 |