Molecule ID: mol4978
SMILES: Nc1ccc2cc3ccc(Cl)cc3nc2c1
InChI: InChI=1S/C13H9ClN2/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,15H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.22 | QSARToolbox | 1 » 0 |
| 7.22 | IUPAC digitized pKa | 1 » 0 |
| 7.22 | OCHEM | 1 » 0 |
| 7.26 | Datawarrior | 1 » 0 |
| 7.26 | AttenGpKa training set | 1 » 0 |
| 7.26 | OCHEM | 1 » 0 |
| 7.26 | QSARToolbox | 1 » 0 |