5-[(E)-2-(4-bromophenyl)ethenyl]-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole

Formula:C17H11N2OBrClF Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[(E)-2-(4-bromophenyl)ethenyl]-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole is not a drug-like molecule.

MolName	5-[(E)-2-(4-bromophenyl)ethenyl]-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole
MolecularFormula	C17H11N2OBrClF
Smiles	Fc1cccc(Cl)c1Cc1noc(/C=C/c(cc2)ccc2Br)n1
InChI	InChI=1S/C17H11BrClFN2O/c18-12-7-4-11(5-8-12)6-9-17-21-16(22-23-17)10-13-14(19)2-1-3-15(13)20/h1-9H,10H2
InChIK	WEXUGUTZJKVUAX-UHFFFAOYSA-N
TotalMolweight	393.642
Molweight	393.642
MonoisotopicMass	391.972729
CLogP	5.1801
CLogS	-5.389
H Acceptors	3
TotalSurfaceArea	260.65
Relative PSA	0.13831
PolarSurfaceArea	38.92
Druglikeness	-1.6326
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - 5-[(E)-2-(4-bromophenyl)ethenyl]-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole | 2 - 5-[(E)-2-(4-bromophenyl)ethenyl]-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole

Request More Details | 5-[(E)-2-(4-bromophenyl)ethenyl]-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazole

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments