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

Formula:C16H11NOClF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enenitrile
MolecularFormula	C16H11NOClF
Smiles	N#C/C=C/c(cc1)cc(Cl)c1OCc1cc(F)ccc1
InChI	InChI=1S/C16H11ClFNO/c17-15-10-12(4-2-8-19)6-7-16(15)20-11-13-3-1-5-14(18)9-13/h1-7,9-10H,11H2
InChIK	ICOVYBJFHOCHDX-UHFFFAOYSA-N
TotalMolweight	287.72
Molweight	287.72
MonoisotopicMass	287.051319
CLogP	4.0507
CLogS	-5.063
H Acceptors	2
TotalSurfaceArea	226.76
Relative PSA	0.1039
PolarSurfaceArea	33.02
Druglikeness	-7.1362
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.7
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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