Molecule ID: mol5005
SMILES: Nc1ccc2nc3cc(N)ccc3cc2c1
InChI: InChI=1S/C13H11N3/c14-10-3-4-12-9(6-10)5-8-1-2-11(15)7-13(8)16-12/h1-7H,14-15H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.06 | IUPAC digitized pKa | 1 » 0 |
| 8.06 | OCHEM | 1 » 0 |
| 8.11 | QSARToolbox | 1 » 0 |
| 8.11 | QSARToolbox | 1 » 0 |
| 8.11 | OCHEM | 1 » 0 |
| 8.11 | IUPAC digitized pKa | 1 » 0 |
| 8.11 | Datawarrior | 1 » 0 |
| 8.11 | OCHEM | 1 » 0 |
| 8.60 | QSARToolbox | 1 » 0 |