Molecule ID: mol11743
SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N(C)C
InChI: InChI=1S/C12H19N3O4/c1-7-5-15(12(18)13-11(7)14(2)3)10-4-8(17)9(6-16)19-10/h5,8-10,16-17H,4,6H2,1-3H3/t8-,9+,10+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.92 | IUPAC digitized pKa | 1 » 0 |
| 13.00 | IUPAC digitized pKa | 0 » -1 |