Molecule ID: mol7258
SMILES: Nc1ncc(C(=O)c2ccc(Cl)cc2)c(N)n1
InChI: InChI=1S/C11H9ClN4O/c12-7-3-1-6(2-4-7)9(17)8-5-15-11(14)16-10(8)13/h1-5H,(H4,13,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.58 | IUPAC digitized pKa | 1 » 0 |
| 4.58 | AttenGpKa training set | 1 » 0 |