Molecule ID: mol12974
SMILES: Cn1cc(N)cc1C(=O)O
InChI: InChI=1S/C6H8N2O2/c1-8-3-4(7)2-5(8)6(9)10/h2-3H,7H2,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | Datawarrior | 1 » 0 |
| 3.50 | OCHEM | 1 » 0 |
| 7.00 | Datawarrior | 0 » -1 |
| 7.00 | OCHEM | 0 » -1 |