Molecule ID: mol21722
SMILES: Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1
InChI: InChI=1S/C13H9ClN2O2/c14-7-1-4-12-10(5-7)16-13(18-12)9-6-8(15)2-3-11(9)17/h1-6,17H,15H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.64 | AttenGpKa training set | 1 » 0 |
| 9.81 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.81 | AttenGpKa training set | 0 » -1 |