Molecule ID: mol7272
SMILES: Nc1cc(Sc2ccc(Cl)cc2)nc(N)n1
InChI: InChI=1S/C10H9ClN4S/c11-6-1-3-7(4-2-6)16-9-5-8(12)14-10(13)15-9/h1-5H,(H4,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.02 | IUPAC digitized pKa | 1 » 0 |
| 5.02 | OCHEM | 1 » 0 |
| 5.02 | AttenGpKa training set | 1 » 0 |
| 5.20 | QSARToolbox | 1 » 0 |