(Z)-N-benzyl-2-cyano-3-(2-fluorophenyl)prop-2-enamide

Formula:C17H13N2OF Mutagenic:none Tumorigenic:none Reproductive Effective:low (Z)-N-benzyl-2-cyano-3-(2-fluorophenyl)prop-2-enamide is a drug-like molecule.

MolName	(Z)-N-benzyl-2-cyano-3-(2-fluorophenyl)prop-2-enamide
MolecularFormula	C17H13N2OF
Smiles	N#C/C(/C(NCc1ccccc1)=O)=C/c(cccc1)c1F
InChI	InChI=1S/C17H13FN2O/c18-16-9-5-4-8-14(16)10-15(11-19)17(21)20-12-13-6-2-1-3-7-13/h1-10H,12H2,(H,20,21)
InChIK	FAAFIIAQAFCLDG-UHFFFAOYSA-N
TotalMolweight	280.301
Molweight	280.301
MonoisotopicMass	280.101191
CLogP	2.7985
CLogS	-3.9
H Acceptors	3
H Donors	1
TotalSurfaceArea	228.76
Relative PSA	0.16638
PolarSurfaceArea	52.89
Druglikeness	-2.6509
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Amides	1
StereoCon

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