4-[2-(1H-indol-3-yl)ethenyl]-1-methylpyridin-1-ium--4-methylbenzene-1-sulfonate (1/1)
Chemical Structure Depiction of
4-[2-(1H-indol-3-yl)ethenyl]-1-methylpyridin-1-ium--4-methylbenzene-1-sulfonate (1/1)
4-[2-(1H-indol-3-yl)ethenyl]-1-methylpyridin-1-ium--4-methylbenzene-1-sulfonate (1/1)
Compound characteristics
| Compound ID: | 4311-2655 |
| Compound Name: | 4-[2-(1H-indol-3-yl)ethenyl]-1-methylpyridin-1-ium--4-methylbenzene-1-sulfonate (1/1) |
| Molecular Weight: | 406.5 |
| Molecular Formula: | C16 H15 N2 |
| Salt: | p-CH3C6H4SO3- |
| Smiles: | C[n+]1ccc(/C=C/c2c[nH]c3ccccc23)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4435 |
| logD: | 3.4435 |
| logSw: | -3.591 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 13.2034 |
| InChI Key: | REPRLCRXMJXHAW-UHFFFAOYSA-O |