Molecule ID: mol36955
SMILES: OC[C@H]1O[C@@H](n2cnc3c(OCc4ccccc4)nc4nccn4c32)[C@H](O)[C@@H]1O
InChI: InChI=1S/C19H19N5O5/c25-8-12-14(26)15(27)18(29-12)24-10-21-13-16(28-9-11-4-2-1-3-5-11)22-19-20-6-7-23(19)17(13)24/h1-7,10,12,14-15,18,25-27H,8-9H2/t12-,14-,15-,18-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | QSARToolbox | 1 » 0 |