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

Formula:C23H16NO2Br Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-2-benzoyl-3-[4-[(4-bromophenyl)methoxy]phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-benzoyl-3-[4-[(4-bromophenyl)methoxy]phenyl]prop-2-enenitrile
MolecularFormula	C23H16NO2Br
Smiles	N#C/C(/C(c1ccccc1)=O)=C\c(cc1)ccc1OCc(cc1)ccc1Br
InChI	InChI=1S/C23H16BrNO2/c24-21-10-6-18(7-11-21)16-27-22-12-8-17(9-13-22)14-20(15-25)23(26)19-4-2-1-3-5-19/h1-14H,16H2
InChIK	PYVMOPHTCDIAPC-UHFFFAOYSA-N
TotalMolweight	418.289
Molweight	418.289
MonoisotopicMass	417.03644
CLogP	5.2291
CLogS	-6.287
H Acceptors	3
TotalSurfaceArea	299.34
Relative PSA	0.12227
PolarSurfaceArea	50.09
Druglikeness	-5.8151
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	6
StereoCon

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