Molecule ID: mol36035
SMILES: CCOc1nc2nccn2c2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChI: InChI=1S/C14H17N5O5/c1-2-23-11-8-12(18-4-3-15-14(18)17-11)19(6-16-8)13-10(22)9(21)7(5-20)24-13/h3-4,6-7,9-10,13,20-22H,2,5H2,1H3/t7-,9-,10-,13-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.21 | QSARToolbox | 1 » 0 |