(E)-3-[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile

Formula:C16H10NOBr2F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enenitrile
MolecularFormula	C16H10NOBr2F
Smiles	N#C/C=C/c(cc1Br)cc(Br)c1OCc(cc1)ccc1F
InChI	InChI=1S/C16H10Br2FNO/c17-14-8-12(2-1-7-20)9-15(18)16(14)21-10-11-3-5-13(19)6-4-11/h1-6,8-9H,10H2
InChIK	VGEGAVDNIGSOMU-UHFFFAOYSA-N
TotalMolweight	411.067
Molweight	411.067
MonoisotopicMass	408.911314
CLogP	4.8951
CLogS	-5.995
H Acceptors	2
TotalSurfaceArea	248.6
Relative PSA	0.094771
PolarSurfaceArea	33.02
Druglikeness	-9.0778
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.71429
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	5
StereoCon

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