Molecule ID: mol11400
SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
InChI: InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.50 | QSARToolbox | 0 » -1 |
| 9.65 | IUPAC digitized pKa | 0 » -1 |
| 9.72 | AttenGpKa training set | 0 » -1 |
| 9.79 | QSARToolbox | 0 » -1 |
| 9.79 | QSARToolbox | 0 » -1 |
| 9.80 | Baltruschat ChEMBL | 0 » -1 |