Molecule ID: mol7246
SMILES: Nc1ncc(C(=O)c2ccccc2)c(N)n1
InChI: InChI=1S/C11H10N4O/c12-10-8(6-14-11(13)15-10)9(16)7-4-2-1-3-5-7/h1-6H,(H4,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.63 | IUPAC digitized pKa | 1 » 0 |
| 4.63 | AttenGpKa training set | 1 » 0 |