3-butoxy-8-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene
					Chemical Structure Depiction of
3-butoxy-8-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene
			3-butoxy-8-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene
Compound characteristics
| Compound ID: | 4872-0029 | 
| Compound Name: | 3-butoxy-8-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene | 
| Molecular Weight: | 363.63 | 
| Molecular Formula: | C14 H13 Cl3 N2 O3 | 
| Smiles: | CCCCOc1ccc2c(c1)\C(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)N2 | 
| Stereo: | ACHIRAL | 
| logP: | 5.6786 | 
| logD: | 2.7247 | 
| logSw: | -5.9683 | 
| Hydrogen bond acceptors count: | 5 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 52.146 | 
| InChI Key: | LVASCKDWIHPUMG-UHFFFAOYSA-N | 
 
				 
				