Molecule ID: mol37428
SMILES: Cc1ncc(CO)c(CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1O
InChI: InChI=1S/C19H21N3O4/c1-11-18(24)15(13(10-23)8-20-11)9-22-17(19(25)26)6-12-7-21-16-5-3-2-4-14(12)16/h2-5,7-8,17,21-24H,6,9-10H2,1H3,(H,25,26)/t17-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.12 | QSARToolbox | 1 » 0 |