Molecule ID: mol12839
SMILES: Cc1ncc2c(c1O)C(O)OC2
InChI: InChI=1S/C8H9NO3/c1-4-7(10)6-5(2-9-4)3-12-8(6)11/h2,8,10-11H,3H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.30 | Datawarrior | 1 » 0 |
| 4.30 | QSARToolbox | 1 » 0 |
| 4.30 | OCHEM | 1 » 0 |
| 8.75 | Datawarrior | 0 » -1 |
| 8.75 | OCHEM | 0 » -1 |