(E)-2-cyano-3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)prop-2-enamide

Formula:C16H8N2OCl2F2 Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-2-cyano-3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)prop-2-enamide
MolecularFormula	C16H8N2OCl2F2
Smiles	N#C/C(/C(Nc(ccc(F)c1)c1F)=O)=C\c(c(Cl)ccc1)c1Cl
InChI	InChI=1S/C16H8Cl2F2N2O/c17-12-2-1-3-13(18)11(12)6-9(8-21)16(23)22-15-5-4-10(19)7-14(15)20/h1-7H,(H,22,23)
InChIK	DMACFGBJUWHXPO-UHFFFAOYSA-N
TotalMolweight	353.155
Molweight	353.155
MonoisotopicMass	351.998173
CLogP	4.4019
CLogS	-5.87
H Acceptors	3
H Donors	1
TotalSurfaceArea	252.19
Relative PSA	0.15092
PolarSurfaceArea	52.89
Druglikeness	-3.0415
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.56522
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	3
Amides	1
StereoCon

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