(E)-3-[4-[(4-bromophenyl)methoxy]-3-chlorophenyl]prop-2-enenitrile

Formula:C16H11NOBrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[4-[(4-bromophenyl)methoxy]-3-chlorophenyl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[4-[(4-bromophenyl)methoxy]-3-chlorophenyl]prop-2-enenitrile
MolecularFormula	C16H11NOBrCl
Smiles	N#C/C=C/c(cc1)cc(Cl)c1OCc(cc1)ccc1Br
InChI	InChI=1S/C16H11BrClNO/c17-14-6-3-13(4-7-14)11-20-16-8-5-12(2-1-9-19)10-15(16)18/h1-8,10H,11H2
InChIK	ATYMALRPEHGVEH-UHFFFAOYSA-N
TotalMolweight	348.626
Molweight	348.626
MonoisotopicMass	346.971252
CLogP	4.6751
CLogS	-5.583
H Acceptors	2
TotalSurfaceArea	239.04
Relative PSA	0.098561
PolarSurfaceArea	33.02
Druglikeness	-7.5862
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.75
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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