Molecule ID: mol3390
SMILES: c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1
InChI: InChI=1S/C18H15N3/c1-3-7-15(8-4-1)19-16-11-13-18(14-12-16)21-20-17-9-5-2-6-10-17/h1-14,19H/b21-20+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.42 | AttenGpKa training set | 1 » 0 |
| 1.52 | IUPAC digitized pKa | 1 » 0 |
| 1.55 | IUPAC digitized pKa | 1 » 0 |