Molecule ID: mol7619
SMILES: Nc1nc(N)nc(Cc2ccc(Cl)cc2)n1
InChI: InChI=1S/C10H10ClN5/c11-7-3-1-6(2-4-7)5-8-14-9(12)16-10(13)15-8/h1-4H,5H2,(H4,12,13,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.97 | IUPAC digitized pKa | 1 » 0 |
| 3.97 | AttenGpKa training set | 1 » 0 |
| 3.97 | QSARToolbox | 1 » 0 |