3-(2,6-dimethylquinolin-1-ium-1-yl)propane-1-sulfonate
Chemical Structure Depiction of
3-(2,6-dimethylquinolin-1-ium-1-yl)propane-1-sulfonate
3-(2,6-dimethylquinolin-1-ium-1-yl)propane-1-sulfonate
Compound characteristics
| Compound ID: | 4400-0052 |
| Compound Name: | 3-(2,6-dimethylquinolin-1-ium-1-yl)propane-1-sulfonate |
| Molecular Weight: | 279.36 |
| Molecular Formula: | C14 H17 N O3 S |
| Smiles: | Cc1ccc2c(ccc(C)[n+]2CCCS([O-])(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.428 |
| logD: | 1.428 |
| logSw: | -2.2671 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.954 |
| InChI Key: | XGEKMTCWSJCVBS-UHFFFAOYSA-N |