2-[[4-bromo-2-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]phenoxy]methyl]benzonitrile

Formula:C23H14N2OBrF Mutagenic:high Tumorigenic:low Reproductive Effective:high 2-[[4-bromo-2-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]phenoxy]methyl]benzonitrile is not a drug-like molecule.

MolName	2-[[4-bromo-2-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]phenoxy]methyl]benzonitrile
MolecularFormula	C23H14N2OBrF
Smiles	N#C/C(/c(cc1)ccc1F)=C/c(cc(cc1)Br)c1OCc(cccc1)c1C#N
InChI	InChI=1S/C23H14BrFN2O/c24-21-7-10-23(28-15-18-4-2-1-3-17(18)13-26)19(12-21)11-20(14-27)16-5-8-22(25)9-6-16/h1-12H,15H2
InChIK	WCHHPNGJXYHMAV-UHFFFAOYSA-N
TotalMolweight	433.279
Molweight	433.279
MonoisotopicMass	432.027352
CLogP	5.3423
CLogS	-6.891
H Acceptors	3
TotalSurfaceArea	309.65
Relative PSA	0.11988
PolarSurfaceArea	56.81
Druglikeness	-8.4122
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
StereoCon

Click to Load Molecule:

1 - 2-[[4-bromo-2-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]phenoxy]methyl]benzonitrile | 2 - 2-[[4-bromo-2-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]phenoxy]methyl]benzonitrile

Request More Details | 2-[[4-bromo-2-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]phenoxy]methyl]benzonitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments