Molecule ID: mol14896
SMILES: Cc1c2ccncc2cc2c1[nH]c1ccncc12
InChI: InChI=1S/C15H11N3/c1-9-11-2-4-16-7-10(11)6-12-13-8-17-5-3-14(13)18-15(9)12/h2-8,18H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.30 | Datawarrior | 2 » 1 |
| 5.30 | QSARToolbox | 2 » 1 |
| 7.50 | Datawarrior | 1 » 0 |
| 7.50 | OCHEM | 1 » 0 |