Molecule ID: mol10684
SMILES: NC[C@H](O)c1ccc(O)c(O)c1
InChI: InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.42 | OCHEM | 1 » 0 |
| 8.58 | OCHEM | 0 » -1 |
| 8.58 | Baltruschat ChEMBL | 0 » -1 |
| 8.82 | QSARToolbox | 0 » -1 |
| 9.78 | QSARToolbox | 0 » -1 |