Molecule ID: mol7273
SMILES: CCc1nc(N)nc(N)c1Sc1ccc(Cl)cc1
InChI: InChI=1S/C12H13ClN4S/c1-2-9-10(11(14)17-12(15)16-9)18-8-5-3-7(13)4-6-8/h3-6H,2H2,1H3,(H4,14,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.27 | QSARToolbox | 1 » 0 |
| 6.27 | IUPAC digitized pKa | 1 » 0 |
| 6.27 | OCHEM | 1 » 0 |
| 6.27 | AttenGpKa training set | 1 » 0 |