Molecule ID: mol7277
SMILES: Cc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1
InChI: InChI=1S/C11H10Cl2N4/c1-5-9(10(14)17-11(15)16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H4,14,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.15 | IUPAC digitized pKa | 1 » 0 |
| 7.15 | OCHEM | 1 » 0 |
| 7.15 | AttenGpKa training set | 1 » 0 |
| 7.15 | QSARToolbox | 1 » 0 |