Molecule ID: mol14593
SMILES: Cc1ccc(N=C2C=CC(=N)C=C2)c(N)c1
InChI: InChI=1S/C13H13N3/c1-9-2-7-13(12(15)8-9)16-11-5-3-10(14)4-6-11/h2-8,14H,15H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | OCHEM | 2 » 1 |
| 4.20 | QSARToolbox | 2 » 1 |
| 4.20 | Datawarrior | 2 » 1 |