(E)-3-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)prop-2-enenitrile

Formula:C16H10NO2F Mutagenic:none Tumorigenic:low Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)prop-2-enenitrile
MolecularFormula	C16H10NO2F
Smiles	N#C/C(/c(cc1)ccc1F)=C/c(cc1)cc2c1OCO2
InChI	InChI=1S/C16H10FNO2/c17-14-4-2-12(3-5-14)13(9-18)7-11-1-6-15-16(8-11)20-10-19-15/h1-8H,10H2
InChIK	ZKUZQSVUBZQMHT-UHFFFAOYSA-N
TotalMolweight	267.258
Molweight	267.258
MonoisotopicMass	267.069557
CLogP	3.5448
CLogS	-4.654
H Acceptors	3
TotalSurfaceArea	206.05
Relative PSA	0.16287
PolarSurfaceArea	42.25
Druglikeness	-6.4325
Mutagenic	none
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
StereoCon

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