Molecule ID: mol14269
SMILES: Cc1nc(C(=O)O)ccc1O
InChI: InChI=1S/C7H7NO3/c1-4-6(9)3-2-5(8-4)7(10)11/h2-3,9H,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.13 | Datawarrior | 0 » -1 |
| 5.13 | OCHEM | 0 » -1 |
| 9.49 | OCHEM | -1 » -2 |
| 9.49 | Datawarrior | -1 » -2 |