3-(4-chlorophenyl)-5-(phenylethynyl)-2,1-benzoxazole
					Chemical Structure Depiction of
3-(4-chlorophenyl)-5-(phenylethynyl)-2,1-benzoxazole
			3-(4-chlorophenyl)-5-(phenylethynyl)-2,1-benzoxazole
Compound characteristics
| Compound ID: | D136-0047 | 
| Compound Name: | 3-(4-chlorophenyl)-5-(phenylethynyl)-2,1-benzoxazole | 
| Molecular Weight: | 329.78 | 
| Molecular Formula: | C21 H12 Cl N O | 
| Smiles: | C(#Cc1ccc2c(c1)c(c1ccc(cc1)[Cl])on2)c1ccccc1 | 
| Stereo: | ACHIRAL | 
| logP: | 7.0349 | 
| logD: | 7.0349 | 
| logSw: | -6.8087 | 
| Hydrogen bond acceptors count: | 2 | 
| Polar surface area: | 21.4501 | 
| InChI Key: | VSUUMLOTDPPXMV-UHFFFAOYSA-N | 
 
				 
				