Molecule ID: mol35718
SMILES: Nc1ncnc2c1ccn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
InChI: InChI=1S/C11H15N4O7P/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(17)7(16)6(22-11)3-21-23(18,19)20/h1-2,4,6-8,11,16-17H,3H2,(H2,12,13,14)(H2,18,19,20)/t6-,7-,8-,11-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.28 | QSARToolbox | 0 » -1 |