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

Formula:C16H7N2OCl2F3 Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-2-cyano-3-(2,4-dichlorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-(2,4-dichlorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
MolecularFormula	C16H7N2OCl2F3
Smiles	N#C/C(/C(Nc(ccc(F)c1F)c1F)=O)=C\c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C16H7Cl2F3N2O/c17-10-2-1-8(11(18)6-10)5-9(7-22)16(24)23-13-4-3-12(19)14(20)15(13)21/h1-6H,(H,23,24)
InChIK	BHZXAEPACBLYOS-UHFFFAOYSA-N
TotalMolweight	371.145
Molweight	371.145
MonoisotopicMass	369.988751
CLogP	4.5027
CLogS	-6.184
H Acceptors	3
H Donors	1
TotalSurfaceArea	258.54
Relative PSA	0.14721
PolarSurfaceArea	52.89
Druglikeness	-3.0415
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB; polyhalo aromatic ring
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Amides	1
StereoCon

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