4-[4-(cyanomethyl)anilino]-5-nitrobenzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-[4-(cyanomethyl)anilino]-5-nitrobenzene-1,2-dicarbonitrile
4-[4-(cyanomethyl)anilino]-5-nitrobenzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 8016-4879 |
| Compound Name: | 4-[4-(cyanomethyl)anilino]-5-nitrobenzene-1,2-dicarbonitrile |
| Molecular Weight: | 303.28 |
| Molecular Formula: | C16 H9 N5 O2 |
| Smiles: | C(C#N)c1ccc(cc1)Nc1cc(C#N)c(C#N)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1839 |
| logD: | 3.1839 |
| logSw: | -3.7428 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.138 |
| InChI Key: | DDQDFELCKKYCKK-UHFFFAOYSA-N |