Molecule ID: mol14921
SMILES: Cc1nn(-c2ccccc2)c(C(=O)O)c1C(=O)O
InChI: InChI=1S/C12H10N2O4/c1-7-9(11(15)16)10(12(17)18)14(13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,15,16)(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.89 | OCHEM | -1 » -2 |
| 5.89 | Datawarrior | -1 » -2 |