Molecule ID: mol12847
SMILES: Cn1c(N)nc(=O)c2[nH]cnc21
InChI: InChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7,10,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.61 | Datawarrior | 1 » 0 |
| 4.61 | OCHEM | 1 » 0 |
| 4.61 | QSARToolbox | 1 » 0 |