Molecule ID: mol37097
SMILES: Cc1c(O)c(/C=N\[C@@H](Cc2ccccc2)C(=O)[O-])c(CO)c[n+]1C
InChI: InChI=1S/C18H20N2O4/c1-12-17(22)15(14(11-21)10-20(12)2)9-19-16(18(23)24)8-13-6-4-3-5-7-13/h3-7,9-10,16,21H,8,11H2,1-2H3,(H-,19,22,23,24)/t16-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | QSARToolbox | 0 » -1 |