3-{4-[2-(1H-indol-3-yl)ethenyl]pyridin-1-ium-1-yl}propane-1-sulfonate
Chemical Structure Depiction of
3-{4-[2-(1H-indol-3-yl)ethenyl]pyridin-1-ium-1-yl}propane-1-sulfonate
3-{4-[2-(1H-indol-3-yl)ethenyl]pyridin-1-ium-1-yl}propane-1-sulfonate
Compound characteristics
| Compound ID: | 6164-0099 |
| Compound Name: | 3-{4-[2-(1H-indol-3-yl)ethenyl]pyridin-1-ium-1-yl}propane-1-sulfonate |
| Molecular Weight: | 342.41 |
| Molecular Formula: | C18 H18 N2 O3 S |
| Smiles: | C(C[n+]1ccc(/C=C/c2c[nH]c3ccccc23)cc1)CS([O-])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7052 |
| logD: | 1.7052 |
| logSw: | -2.4173 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.94 |
| InChI Key: | SFQMKMXTXUPOBD-UHFFFAOYSA-N |