Molecule ID: mol14777
SMILES: OCc1ccc(-c2nccc3c2[nH]c2ccccc23)o1
InChI: InChI=1S/C16H12N2O2/c19-9-10-5-6-14(20-10)16-15-12(7-8-17-16)11-3-1-2-4-13(11)18-15/h1-8,18-19H,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.70 | OCHEM | 1 » 0 |
| 5.70 | QSARToolbox | 1 » 0 |
| 5.70 | Datawarrior | 1 » 0 |