3-(4,6,7-trimethylquinolin-1-ium-1-yl)propane-1-sulfonate
Chemical Structure Depiction of
3-(4,6,7-trimethylquinolin-1-ium-1-yl)propane-1-sulfonate
3-(4,6,7-trimethylquinolin-1-ium-1-yl)propane-1-sulfonate
Compound characteristics
| Compound ID: | 0716-0001 |
| Compound Name: | 3-(4,6,7-trimethylquinolin-1-ium-1-yl)propane-1-sulfonate |
| Molecular Weight: | 293.38 |
| Molecular Formula: | C15 H19 N O3 S |
| Smiles: | Cc1cc2c(C)cc[n+](CCCS([O-])(=O)=O)c2cc1C |
| Stereo: | ACHIRAL |
| logP: | 1.8595 |
| logD: | 1.8595 |
| logSw: | -2.2716 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.368 |
| InChI Key: | SAMYLLVPGJFEKB-UHFFFAOYSA-N |