Molecule ID: mol6359
SMILES: Cn1ccc(=O)c(N)c1
InChI: InChI=1S/C6H8N2O/c1-8-3-2-6(9)5(7)4-8/h2-4H,7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.17 | IUPAC digitized pKa | 2 » 1 |
| 3.88 | IUPAC digitized pKa | 1 » 0 |
| 3.91 | IUPAC digitized pKa | 1 » 0 |