Molecule ID: mol11742
SMILES: CCNc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C
InChI: InChI=1S/C12H19N3O4/c1-3-13-11-7(2)5-15(12(18)14-11)10-4-8(17)9(6-16)19-10/h5,8-10,16-17H,3-4,6H2,1-2H3,(H,13,14,18)/t8-,9+,10+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.05 | IUPAC digitized pKa | 1 » 0 |
| 13.00 | IUPAC digitized pKa | 0 » -1 |