Molecule ID: mol8373
SMILES: Nc1cccc2cc3cccc(N)c3nc12
InChI: InChI=1S/C13H11N3/c14-10-5-1-3-8-7-9-4-2-6-11(15)13(9)16-12(8)10/h1-7H,14-15H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.55 | QSARToolbox | 3 » 2 |
| 2.55 | IUPAC digitized pKa | 3 » 2 |
| 2.55 | OCHEM | 3 » 2 |
| 2.55 | OCHEM | 3 » 2 |
| 4.07 | IUPAC digitized pKa | 1 » 0 |
| 4.30 | AttenGpKa training set | 1 » 0 |
| 4.70 | QSARToolbox | 1 » 0 |