Molecule ID: mol4980
SMILES: Nc1ccc2c(Cl)c3ccccc3nc2c1
InChI: InChI=1S/C13H9ClN2/c14-13-9-3-1-2-4-11(9)16-12-7-8(15)5-6-10(12)13/h1-7H,15H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.70 | QSARToolbox | 1 » 0 |
| 6.70 | IUPAC digitized pKa | 1 » 0 |
| 6.70 | OCHEM | 1 » 0 |
| 6.74 | QSARToolbox | 1 » 0 |
| 6.74 | OCHEM | 1 » 0 |
| 6.74 | Datawarrior | 1 » 0 |
| 6.74 | AttenGpKa training set | 1 » 0 |