(E)-2-benzoyl-3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile

Formula:C23H14NO2BrCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-2-benzoyl-3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-benzoyl-3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile
MolecularFormula	C23H14NO2BrCl2
Smiles	N#C/C(/C(c1ccccc1)=O)=C\c(cc1)cc(Br)c1OCc(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C23H14BrCl2NO2/c24-20-11-15(10-18(13-27)23(28)16-4-2-1-3-5-16)6-9-22(20)29-14-17-7-8-19(25)12-21(17)26/h1-12H,14H2
InChIK	MODDJYAWQAURNP-UHFFFAOYSA-N
TotalMolweight	487.179
Molweight	487.179
MonoisotopicMass	484.958494
CLogP	6.4411
CLogS	-7.759
H Acceptors	3
TotalSurfaceArea	330.18
Relative PSA	0.11085
PolarSurfaceArea	50.09
Druglikeness	-5.7154
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
StereoCon

Click to Load Molecule:

1 - (E)-2-benzoyl-3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile | 2 - (E)-2-benzoyl-3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile

Request More Details | (E)-2-benzoyl-3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments