Molecule ID: mol6727
SMILES: c1ccc(C2=NOC(c3ccccc3)C2)cc1
InChI: InChI=1S/C15H13NO/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-10,15H,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -3.28 | IUPAC digitized pKa | 1 » 0 |
| -2.62 | AttenGpKa training set | 1 » 0 |