2-(2-oxo-2-phenylethyl)isoquinolin-2-ium--bromide (1/1)
Chemical Structure Depiction of
2-(2-oxo-2-phenylethyl)isoquinolin-2-ium--bromide (1/1)
2-(2-oxo-2-phenylethyl)isoquinolin-2-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0086-0043 |
| Compound Name: | 2-(2-oxo-2-phenylethyl)isoquinolin-2-ium--bromide (1/1) |
| Molecular Weight: | 328.21 |
| Molecular Formula: | C17 H14 N O |
| Salt: | Br- |
| Smiles: | C(C(c1ccccc1)=O)[n+]1ccc2ccccc2c1 |
| Stereo: | ACHIRAL |
| logP: | 3.1679 |
| logD: | 3.1679 |
| logSw: | -3.0979 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 15.8994 |
| InChI Key: | LIAJGECMVWAMNA-UHFFFAOYSA-N |