Molecule ID: mol7259
SMILES: Nc1ncc(Cc2ccc(Cl)cc2)c(N)n1
InChI: InChI=1S/C11H11ClN4/c12-9-3-1-7(2-4-9)5-8-6-15-11(14)16-10(8)13/h1-4,6H,5H2,(H4,13,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.17 | IUPAC digitized pKa | 1 » 0 |
| 7.17 | AttenGpKa training set | 1 » 0 |