Molecule ID: mol7247
SMILES: Nc1ncc(Cc2ccccc2)c(N)n1
InChI: InChI=1S/C11H12N4/c12-10-9(7-14-11(13)15-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H4,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.27 | QSARToolbox | 1 » 0 |
| 7.27 | IUPAC digitized pKa | 1 » 0 |
| 7.27 | OCHEM | 1 » 0 |
| 7.27 | AttenGpKa training set | 1 » 0 |