Molecule ID: mol12837
SMILES: Cc1ncc2c(c1O)C(=O)OC2
InChI: InChI=1S/C8H7NO3/c1-4-7(10)6-5(2-9-4)3-12-8(6)11/h2,10H,3H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.05 | Datawarrior | 0 » -1 |
| 7.05 | AttenGpKa training set | 0 » -1 |
| 7.05 | OCHEM | 0 » -1 |