Molecule ID: mol11637
SMILES: O=c1cc(-c2ccccc2)cc(Cl)[nH]1
InChI: InChI=1S/C11H8ClNO/c12-10-6-9(7-11(14)13-10)8-4-2-1-3-5-8/h1-7H,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.10 | IUPAC digitized pKa | 1 » 0 |
| 7.32 | IUPAC digitized pKa | 0 » -1 |