Molecule ID: mol1357
SMILES: CNc1nccc(OC)n1
InChI: InChI=1S/C6H9N3O/c1-7-6-8-4-3-5(9-6)10-2/h3-4H,1-2H3,(H,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.74 | IUPAC digitized pKa | 1 » 0 |
| 5.74 | Hunt | 1 » 0 |
| 5.74 | AttenGpKa training set | 1 » 0 |