Molecule ID: mol14845
SMILES: Nc1nc(O)c2ncn([C@@H]3C=C[C@H](CO)C3)c2n1
InChI: InChI=1S/C11H13N5O2/c12-11-14-9-8(10(18)15-11)13-5-16(9)7-2-1-6(3-7)4-17/h1-2,5-7,17H,3-4H2,(H3,12,14,15,18)/t6-,7+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.15 | Datawarrior | 1 » 0 |
| 3.15 | QSARToolbox | 1 » 0 |
| 9.68 | Datawarrior | 0 » -1 |