Molecule ID: mol7303
SMILES: COc1ccc(Sc2cnc(N)nc2N)cc1
InChI: InChI=1S/C11H12N4OS/c1-16-7-2-4-8(5-3-7)17-9-6-14-11(13)15-10(9)12/h2-6H,1H3,(H4,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.94 | IUPAC digitized pKa | 1 » 0 |
| 5.94 | OCHEM | 1 » 0 |
| 5.94 | AttenGpKa training set | 1 » 0 |
| 5.94 | QSARToolbox | 1 » 0 |