(azepan-1-yl)(3-methyl-2-nitrophenyl)methanone
Chemical Structure Depiction of
(azepan-1-yl)(3-methyl-2-nitrophenyl)methanone
(azepan-1-yl)(3-methyl-2-nitrophenyl)methanone
Compound characteristics
Compound ID: | Y032-3221 |
Compound Name: | (azepan-1-yl)(3-methyl-2-nitrophenyl)methanone |
Molecular Weight: | 262.31 |
Molecular Formula: | C14 H18 N2 O3 |
Smiles: | Cc1cccc(C(N2CCCCCC2)=O)c1[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 3.0751 |
logD: | 3.0751 |
logSw: | -3.3371 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 49.997 |
InChI Key: | BLNKFUHNNRPOGG-UHFFFAOYSA-N |