Molecule ID: mol6594
SMILES: C(=NNc1ccccn1)c1ccccn1
InChI: InChI=1S/C11H10N4/c1-3-7-12-10(5-1)9-14-15-11-6-2-4-8-13-11/h1-9H,(H,13,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.53 | IUPAC digitized pKa | 2 » 1 |
| 2.61 | IUPAC digitized pKa | 2 » 1 |
| 2.73 | IUPAC digitized pKa | 2 » 1 |
| 2.83 | IUPAC digitized pKa | 2 » 1 |
| 2.87 | IUPAC digitized pKa | 2 » 1 |
| 2.91 | IUPAC digitized pKa | 2 » 1 |
| 3.07 | IUPAC digitized pKa | 2 » 1 |
| 3.20 | IUPAC digitized pKa | 2 » 1 |
| 5.11 | IUPAC digitized pKa | 1 » 0 |
| 5.18 | IUPAC digitized pKa | 1 » 0 |
| 5.34 | IUPAC digitized pKa | 1 » 0 |
| 5.53 | IUPAC digitized pKa | 1 » 0 |
| 5.62 | IUPAC digitized pKa | 1 » 0 |
| 5.71 | IUPAC digitized pKa | 1 » 0 |
| 5.77 | IUPAC digitized pKa | 1 » 0 |
| 5.93 | IUPAC digitized pKa | 1 » 0 |