Molecule ID: mol26388
SMILES: Cn1n[n+](O)c2ccccc21
InChI: InChI=1S/C7H8N3O/c1-9-6-4-2-3-5-7(6)10(11)8-9/h2-5H,1H3,(H,8,11)/q+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.07 | AttenGpKa training set | 1 » 0 |
| -1.07 | AttenGpKa training set | 1 » 0 |