5-(azepan-1-yl)-7-chloro-4-nitro-2,1,3-benzoxadiazole
Chemical Structure Depiction of
5-(azepan-1-yl)-7-chloro-4-nitro-2,1,3-benzoxadiazole
5-(azepan-1-yl)-7-chloro-4-nitro-2,1,3-benzoxadiazole
Compound characteristics
Compound ID: | R052-0344 |
Compound Name: | 5-(azepan-1-yl)-7-chloro-4-nitro-2,1,3-benzoxadiazole |
Molecular Weight: | 296.71 |
Molecular Formula: | C12 H13 Cl N4 O3 |
Smiles: | C1CCCN(CC1)c1cc(c2c(c1[N+]([O-])=O)non2)[Cl] |
Stereo: | ACHIRAL |
logP: | 4.2995 |
logD: | 4.2995 |
logSw: | -4.6071 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 73.361 |
InChI Key: | KCAQWGCPKOACRC-UHFFFAOYSA-N |