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

Formula:C17H12N2OBrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[(E)-2-(4-bromophenyl)ethenyl]-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole is not a drug-like molecule.

MolName	5-[(E)-2-(4-bromophenyl)ethenyl]-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole
MolecularFormula	C17H12N2OBrCl
Smiles	Clc1c(Cc2noc(/C=C/c(cc3)ccc3Br)n2)cccc1
InChI	InChI=1S/C17H12BrClN2O/c18-14-8-5-12(6-9-14)7-10-17-20-16(21-22-17)11-13-3-1-2-4-15(13)19/h1-10H,11H2
InChIK	WHWIHHUYUZBLST-UHFFFAOYSA-N
TotalMolweight	375.652
Molweight	375.652
MonoisotopicMass	373.982151
CLogP	5.0793
CLogS	-5.075
H Acceptors	3
TotalSurfaceArea	254.3
Relative PSA	0.14176
PolarSurfaceArea	38.92
Druglikeness	-0.29263
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
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-chlorophenyl)methyl]-1,2,4-oxadiazole | 2 - 5-[(E)-2-(4-bromophenyl)ethenyl]-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments