2-[2-(3-nitrophenyl)-2-oxoethyl]isoquinolin-2-ium--bromide (1/1)
Chemical Structure Depiction of
2-[2-(3-nitrophenyl)-2-oxoethyl]isoquinolin-2-ium--bromide (1/1)
2-[2-(3-nitrophenyl)-2-oxoethyl]isoquinolin-2-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0327-0308 |
| Compound Name: | 2-[2-(3-nitrophenyl)-2-oxoethyl]isoquinolin-2-ium--bromide (1/1) |
| Molecular Weight: | 373.2 |
| Molecular Formula: | C17 H13 N2 O3 |
| Salt: | Br- |
| Smiles: | C(C(c1cccc(c1)[N+]([O-])=O)=O)[n+]1ccc2ccccc2c1 |
| Stereo: | ACHIRAL |
| logP: | 3.4539 |
| logD: | 3.4539 |
| logSw: | -3.5329 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.281 |
| InChI Key: | JQTAZHQUTKUVMU-UHFFFAOYSA-N |