Molecule ID: mol5085
SMILES: COc1c(OC)c2cccnc2c2ncccc12
InChI: InChI=1S/C14H12N2O2/c1-17-13-9-5-3-7-15-11(9)12-10(14(13)18-2)6-4-8-16-12/h3-8H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | IUPAC digitized pKa | 2 » 1 |
| 4.42 | AttenGpKa training set | 2 » 1 |
| 4.42 | QSARToolbox | 2 » 1 |