(E)-2-(4-fluorophenyl)-3-(2-prop-2-ynoxynaphthalen-1-yl)prop-2-enenitrile

Formula:C22H14NOF Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-2-(4-fluorophenyl)-3-(2-prop-2-ynoxynaphthalen-1-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(4-fluorophenyl)-3-(2-prop-2-ynoxynaphthalen-1-yl)prop-2-enenitrile
MolecularFormula	C22H14NOF
Smiles	C#CCOc1c(/C=C(\c(cc2)ccc2F)/C#N)c2ccccc2cc1
InChI	InChI=1S/C22H14FNO/c1-2-13-25-22-12-9-17-5-3-4-6-20(17)21(22)14-18(15-24)16-7-10-19(23)11-8-16/h1,3-12,14H,13H2
InChIK	UAYVOMVLRSWRRD-UHFFFAOYSA-N
TotalMolweight	327.357
Molweight	327.357
MonoisotopicMass	327.105942
CLogP	4.585
CLogS	-6.191
H Acceptors	2
TotalSurfaceArea	267.96
Relative PSA	0.087924
PolarSurfaceArea	33.02
Druglikeness	-6.51
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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