Molecule ID: mol13760
SMILES: Cc1nc2c(O)ccc(O)c2n1C
InChI: InChI=1S/C9H10N2O2/c1-5-10-8-6(12)3-4-7(13)9(8)11(5)2/h3-4,12-13H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.47 | QSARToolbox | 1 » 0 |
| 6.47 | OCHEM | 1 » 0 |
| 6.47 | Datawarrior | 1 » 0 |
| 9.75 | Datawarrior | 0 » -1 |
| 9.75 | OCHEM | 0 » -1 |
| 9.75 | QSARToolbox | 0 » -1 |