Molecule ID: mol13833
SMILES: Cn1cnc2c(N=O)c(O)ccc21
InChI: InChI=1S/C8H7N3O2/c1-11-4-9-7-5(11)2-3-6(12)8(7)10-13/h2-4,12H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.31 | OCHEM | 1 » 0 |
| 3.31 | QSARToolbox | 1 » 0 |
| 3.31 | Datawarrior | 1 » 0 |
| 6.76 | Datawarrior | 0 » -1 |
| 6.76 | OCHEM | 0 » -1 |