(E)-3-(4-chlorophenyl)-2-cyano-N-(2,3,4-trifluorophenyl)prop-2-enamide

Formula:C16H8N2OClF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-chlorophenyl)-2-cyano-N-(2,3,4-trifluorophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(4-chlorophenyl)-2-cyano-N-(2,3,4-trifluorophenyl)prop-2-enamide
MolecularFormula	C16H8N2OClF3
Smiles	N#C/C(/C(Nc(ccc(F)c1F)c1F)=O)=C\c(cc1)ccc1Cl
InChI	InChI=1S/C16H8ClF3N2O/c17-11-3-1-9(2-4-11)7-10(8-21)16(23)22-13-6-5-12(18)14(19)15(13)20/h1-7H,(H,22,23)
InChIK	LXWQSPYGOUSKLT-UHFFFAOYSA-N
TotalMolweight	336.7
Molweight	336.7
MonoisotopicMass	336.027724
CLogP	3.8967
CLogS	-5.448
H Acceptors	3
H Donors	1
TotalSurfaceArea	243.12
Relative PSA	0.15655
PolarSurfaceArea	52.89
Druglikeness	-3.0415
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; polyhalo aromatic ring
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	2
Amides	1
StereoCon

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