Molecule ID: mol7748
SMILES: Cc1cc(NN)nc2ccccc12
InChI: InChI=1S/C10H11N3/c1-7-6-10(13-11)12-9-5-3-2-4-8(7)9/h2-6H,11H2,1H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.80 | QSARToolbox | 2 » 1 |
| 2.80 | IUPAC digitized pKa | 2 » 1 |
| 2.80 | Datawarrior | 2 » 1 |
| 8.35 | IUPAC digitized pKa | 1 » 0 |
| 8.35 | Datawarrior | 1 » 0 |
| 8.35 | OCHEM | 1 » 0 |
| 8.35 | OCHEM | 1 » 0 |