3-methyl-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-methyl-8-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene
3-methyl-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: | 8013-3102 |
| Compound Name: | 3-methyl-8-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene |
| Molecular Weight: | 305.54 |
| Molecular Formula: | C11 H7 Cl3 N2 O2 |
| Smiles: | Cc1ccc2c(c1)\C(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)N2 |
| Stereo: | ACHIRAL |
| logP: | 4.5188 |
| logD: | 3.1002 |
| logSw: | -4.7134 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.728 |
| InChI Key: | KWJNNPSQWWIDEU-UHFFFAOYSA-N |