Molecule ID: mol25345
SMILES: Cn1cc[n+](CC(=O)O)c1
InChI: InChI=1S/C6H8N2O2/c1-7-2-3-8(5-7)4-6(9)10/h2-3,5H,4H2,1H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.90 | QSARToolbox | 1 » 0 |
| 1.93 | AttenGpKa training set | 1 » 0 |
| 2.03 | QSARToolbox | 1 » 0 |