3-{4-[2-(5-bromo-1H-indol-3-yl)ethenyl]pyridin-1-ium-1-yl}propane-1-sulfonate
Chemical Structure Depiction of
3-{4-[2-(5-bromo-1H-indol-3-yl)ethenyl]pyridin-1-ium-1-yl}propane-1-sulfonate
3-{4-[2-(5-bromo-1H-indol-3-yl)ethenyl]pyridin-1-ium-1-yl}propane-1-sulfonate
Compound characteristics
| Compound ID: | 8009-2021 |
| Compound Name: | 3-{4-[2-(5-bromo-1H-indol-3-yl)ethenyl]pyridin-1-ium-1-yl}propane-1-sulfonate |
| Molecular Weight: | 421.31 |
| Molecular Formula: | C18 H17 Br N2 O3 S |
| Smiles: | C(C[n+]1ccc(/C=C/c2c[nH]c3ccc(cc23)[Br])cc1)CS([O-])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.454 |
| logD: | 2.454 |
| logSw: | -2.7612 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.94 |
| InChI Key: | SUBSCIOGDVHJLO-UHFFFAOYSA-N |