(E)-3-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]prop-2-enenitrile

Formula:C16H11NOBrF Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]prop-2-enenitrile
MolecularFormula	C16H11NOBrF
Smiles	N#C/C=C/c(cc(cc1)Br)c1OCc1cc(F)ccc1
InChI	InChI=1S/C16H11BrFNO/c17-14-6-7-16(13(10-14)4-2-8-19)20-11-12-3-1-5-15(18)9-12/h1-7,9-10H,11H2
InChIK	QVXFTFAZJWOVNX-UHFFFAOYSA-N
TotalMolweight	332.171
Molweight	332.171
MonoisotopicMass	331.000803
CLogP	4.1699
CLogS	-5.161
H Acceptors	2
TotalSurfaceArea	229.97
Relative PSA	0.10245
PolarSurfaceArea	33.02
Druglikeness	-9.0778
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
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
StereoCon

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