Molecule ID: mol34975
SMILES: CC=Cc1nc(N)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1
InChI: InChI=1S/C13H17N5O3/c1-2-3-7-11-12(17-13(14)16-7)18(6-15-11)10-4-8(20)9(5-19)21-10/h2-3,6,8-10,19-20H,4-5H2,1H3,(H2,14,16,17)/t8-,9+,10+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | QSARToolbox | 1 » 0 |