Molecule ID: mol5119
SMILES: Nc1ccnc2ccc3ncccc3c12
InChI: InChI=1S/C12H9N3/c13-9-5-7-15-11-4-3-10-8(12(9)11)2-1-6-14-10/h1-7H,(H2,13,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.30 | IUPAC digitized pKa | 1 » 0 |
| 7.30 | Datawarrior | 1 » 0 |
| 7.30 | AttenGpKa training set | 1 » 0 |
| 7.30 | QSARToolbox | 1 » 0 |
| 7.30 | OCHEM | 1 » 0 |