Molecule ID: mol6720
SMILES: Brc1c(-c2ccccc2)noc1-c1ccccc1
InChI: InChI=1S/C15H10BrNO/c16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12/h1-10H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -5.14 | IUPAC digitized pKa | 1 » 0 |
| -5.14 | AttenGpKa training set | 1 » 0 |