Molecule ID: mol7269
SMILES: Cc1nc(N)nc(N)c1-c1ccc(Cl)cc1
InChI: InChI=1S/C11H11ClN4/c1-6-9(10(13)16-11(14)15-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H4,13,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.26 | IUPAC digitized pKa | 1 » 0 |
| 7.26 | OCHEM | 1 » 0 |
| 7.26 | AttenGpKa training set | 1 » 0 |
| 7.26 | QSARToolbox | 1 » 0 |