Molecule ID: mol5065
SMILES: C1=Nc2cccc3cccc(c23)N1
InChI: InChI=1S/C11H8N2/c1-3-8-4-2-6-10-11(8)9(5-1)12-7-13-10/h1-7H,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.27 | OCHEM | 1 » 0 |
| 5.91 | QSARToolbox | 0 » -1 |
| 6.35 | IUPAC digitized pKa | 0 » -1 |