Molecule ID: mol4354
SMILES: Nc1ccnc2cc(Cl)ccc12
InChI: InChI=1S/C9H7ClN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,(H2,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.22 | Datawarrior | 1 » 0 |
| 8.22 | QSARToolbox | 1 » 0 |
| 8.22 | OCHEM | 1 » 0 |
| 8.23 | QSARToolbox | 1 » 0 |
| 8.23 | QSARToolbox | 1 » 0 |
| 8.23 | IUPAC digitized pKa | 1 » 0 |
| 8.23 | OCHEM | 1 » 0 |
| 8.23 | AttenGpKa training set | 1 » 0 |