Molecule ID: mol5003
SMILES: Nc1ccc2nc3ccc(N)cc3cc2c1
InChI: InChI=1S/C13H11N3/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)16-12/h1-7H,14-15H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.14 | QSARToolbox | 1 » 0 |
| 6.14 | IUPAC digitized pKa | 1 » 0 |
| 6.14 | OCHEM | 1 » 0 |
| 6.18 | OCHEM | 1 » 0 |
| 6.18 | QSARToolbox | 1 » 0 |
| 6.18 | Datawarrior | 1 » 0 |
| 6.18 | AttenGpKa training set | 1 » 0 |