Molecule ID: mol21858
SMILES: Nc1ccc(Cc2nc3cc(Cl)ccc3[nH]2)cc1
InChI: InChI=1S/C14H12ClN3/c15-10-3-6-12-13(8-10)18-14(17-12)7-9-1-4-11(16)5-2-9/h1-6,8H,7,16H2,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.47 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 7.47 | OCHEM | 1 » 0 |
| 7.47 | OCHEM | 1 » 0 |