4-(azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-(azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile
4-(azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 3257-3053 |
| Compound Name: | 4-(azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile |
| Molecular Weight: | 270.29 |
| Molecular Formula: | C14 H14 N4 O2 |
| Smiles: | C1CCCN(CC1)c1cc(C#N)c(C#N)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9579 |
| logD: | 2.9579 |
| logSw: | -3.6166 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 70.914 |
| InChI Key: | KEIGMHXWPAWQCQ-UHFFFAOYSA-N |