Molecule ID: mol6730
SMILES: c1ccc(-c2cc(-c3ccccc3)on2)cc1
InChI: InChI=1S/C15H11NO/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -3.24 | IUPAC digitized pKa | 1 » 0 |
| -3.24 | AttenGpKa training set | 1 » 0 |