Molecule ID: mol2145
SMILES: Cc1cc(N)nc(Nc2ccc(Cl)cc2)n1
InChI: InChI=1S/C11H11ClN4/c1-7-6-10(13)16-11(14-7)15-9-4-2-8(12)3-5-9/h2-6H,1H3,(H3,13,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.60 | OCHEM | 1 » 0 |
| 6.60 | QSARToolbox | 1 » 0 |
| 6.60 | IUPAC digitized pKa | 1 » 0 |
| 6.60 | Datawarrior | 1 » 0 |
| 6.60 | Hunt | 1 » 0 |
| 6.60 | AttenGpKa training set | 1 » 0 |