1-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-1,2-dihydronaphtho[2,1-b]azete
Chemical Structure Depiction of
1-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-1,2-dihydronaphtho[2,1-b]azete
1-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-1,2-dihydronaphtho[2,1-b]azete
Compound characteristics
| Compound ID: | 4872-0474 |
| Compound Name: | 1-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-1,2-dihydronaphtho[2,1-b]azete |
| Molecular Weight: | 341.58 |
| Molecular Formula: | C14 H7 Cl3 N2 O2 |
| Smiles: | c1ccc2c(c1)ccc1c2\C(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)N1 |
| Stereo: | ACHIRAL |
| logP: | 5.2069 |
| logD: | 3.2879 |
| logSw: | -6.287 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.457 |
| InChI Key: | SUSREWGCTLFQMC-UHFFFAOYSA-N |