Molecule ID: mol13462
SMILES: Cn1ncc2c(NCCO)ncnc21
InChI: InChI=1S/C8H11N5O/c1-13-8-6(4-12-13)7(9-2-3-14)10-5-11-8/h4-5,14H,2-3H2,1H3,(H,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.86 | QSARToolbox | 1 » 0 |
| 3.86 | OCHEM | 1 » 0 |
| 3.86 | Datawarrior | 1 » 0 |