Molecule ID: mol5037
SMILES: Oc1nc2ccccc2c2ccccc12
InChI: InChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.50 | QSARToolbox | 1 » 0 |
| -1.50 | AttenGpKa training set | 1 » 0 |