Molecule ID: mol37052
SMILES: Cc1ncc(CO)c(CN[C@H](C(=O)O)C(C)C)c1O
InChI: InChI=1S/C13H20N2O4/c1-7(2)11(13(18)19)15-5-10-9(6-16)4-14-8(3)12(10)17/h4,7,11,15-17H,5-6H2,1-3H3,(H,18,19)/t11-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | QSARToolbox | 1 » 0 |
| 7.22 | QSARToolbox | 0 » -1 |