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

Formula:C16H12NOBr Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[4-[(4-bromophenyl)methoxy]phenyl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]prop-2-enenitrile
MolecularFormula	C16H12NOBr
Smiles	N#C/C=C/c(cc1)ccc1OCc(cc1)ccc1Br
InChI	InChI=1S/C16H12BrNO/c17-15-7-3-14(4-8-15)12-19-16-9-5-13(6-10-16)2-1-11-18/h1-10H,12H2
InChIK	POJVCEWHWZZNLR-UHFFFAOYSA-N
TotalMolweight	314.181
Molweight	314.181
MonoisotopicMass	313.010225
CLogP	4.0691
CLogS	-4.847
H Acceptors	2
TotalSurfaceArea	223.62
Relative PSA	0.10536
PolarSurfaceArea	33.02
Druglikeness	-7.7378
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.78947
Fragments	1
Non HAtoms	19
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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