Molecule ID: mol14506
SMILES: C[n+]1c2ccccc2nc2c(O)cccc21
InChI: InChI=1S/C13H10N2O/c1-15-10-6-3-2-5-9(10)14-13-11(15)7-4-8-12(13)16/h2-8H,1H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | QSARToolbox | 1 » 0 |
| 4.85 | OCHEM | 1 » 0 |
| 4.85 | Datawarrior | 1 » 0 |
| 4.90 | AttenGpKa training set | 1 » 0 |