4-methyl-1-[2-(4-nitrophenyl)-2-oxoethyl]quinolin-1-ium--bromide (1/1)
Chemical Structure Depiction of
4-methyl-1-[2-(4-nitrophenyl)-2-oxoethyl]quinolin-1-ium--bromide (1/1)
4-methyl-1-[2-(4-nitrophenyl)-2-oxoethyl]quinolin-1-ium--bromide (1/1)
Compound characteristics
Compound ID: | 8004-5425 |
Compound Name: | 4-methyl-1-[2-(4-nitrophenyl)-2-oxoethyl]quinolin-1-ium--bromide (1/1) |
Molecular Weight: | 387.23 |
Molecular Formula: | C18 H15 N2 O3 |
Salt: | Br- |
Smiles: | Cc1cc[n+](CC(c2ccc(cc2)[N+]([O-])=O)=O)c2ccccc12 |
Stereo: | ACHIRAL |
logP: | 3.7081 |
logD: | 3.7081 |
logSw: | -3.9945 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 47.688 |
InChI Key: | MRUZMCSBIVJNFI-UHFFFAOYSA-N |