Molecule ID: mol20120
SMILES: CCC(CC)Nc1ncnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O
InChI: InChI=1S/C15H23N5O4/c1-3-8(4-2)19-13-10-14(17-6-16-13)20(7-18-10)15-12(23)11(22)9(5-21)24-15/h6-9,11-12,15,21-23H,3-5H2,1-2H3,(H,16,17,19)/t9-,11-,12-,15?/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | Baltruschat ChEMBL | 1 » 0 |