Molecule ID: mol8370
SMILES: COc1ccc2nc3ccccc3c(N)c2c1
InChI: InChI=1S/C14H12N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h2-8H,1H3,(H2,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.60 | AttenGpKa training set | 1 » 0 |
| 9.61 | QSARToolbox | 1 » 0 |
| 9.61 | IUPAC digitized pKa | 1 » 0 |
| 9.61 | OCHEM | 1 » 0 |