Molecule ID: mol4694
SMILES: c1cc2nccnc2cn1
InChI: InChI=1S/C7H5N3/c1-2-8-5-7-6(1)9-3-4-10-7/h1-5H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.40 | OCHEM | 1 » 0 |
| 2.42 | IUPAC digitized pKa | 1 » 0 |
| 2.50 | IUPAC digitized pKa | 1 » 0 |
| 2.50 | Datawarrior | 1 » 0 |
| 2.50 | OCHEM | 1 » 0 |
| 2.50 | AttenGpKa training set | 1 » 0 |
| 2.57 | IUPAC digitized pKa | 1 » 0 |
| 3.05 | IUPAC digitized pKa | 1 » 0 |