Molecule ID: mol37098
SMILES: CCCCCCCCCCCC[n+]1cc(CO)c(/C=N\[C@@H](Cc2ccccc2)C(=O)[O-])c(O)c1C
InChI: InChI=1S/C29H42N2O4/c1-3-4-5-6-7-8-9-10-11-15-18-31-21-25(22-32)26(28(33)23(31)2)20-30-27(29(34)35)19-24-16-13-12-14-17-24/h12-14,16-17,20-21,27,32H,3-11,15,18-19,22H2,1-2H3,(H-,30,33,34,35)/t27-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.00 | QSARToolbox | 1 » 0 |