Molecule ID: mol6733
SMILES: Cc1c(-c2ccccc2)noc1-c1ccccc1
InChI: InChI=1S/C16H13NO/c1-12-15(13-8-4-2-5-9-13)17-18-16(12)14-10-6-3-7-11-14/h2-11H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -3.18 | IUPAC digitized pKa | 1 » 0 |
| -3.18 | AttenGpKa training set | 1 » 0 |