3-{2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinolin-1(2H)-yl}propane-1-sulfonate
Chemical Structure Depiction of
3-{2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinolin-1(2H)-yl}propane-1-sulfonate
3-{2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinolin-1(2H)-yl}propane-1-sulfonate
Compound characteristics
| Compound ID: | 3853-0029 |
| Compound Name: | 3-{2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinolin-1(2H)-yl}propane-1-sulfonate |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C19 H20 N2 O3 S |
| Smiles: | C[n+]1ccccc1\C=C1/C=Cc2ccccc2N1CCCS([O-])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5562 |
| logD: | 1.5562 |
| logSw: | -2.0064 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.201 |
| InChI Key: | PXFVLCJMLONSJS-UHFFFAOYSA-N |