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

Formula:C16H9N2OClF2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-chlorophenyl)-2-cyano-N-(2,4-difluorophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(4-chlorophenyl)-2-cyano-N-(2,4-difluorophenyl)prop-2-enamide
MolecularFormula	C16H9N2OClF2
Smiles	N#C/C(/C(Nc(ccc(F)c1)c1F)=O)=C\c(cc1)ccc1Cl
InChI	InChI=1S/C16H9ClF2N2O/c17-12-3-1-10(2-4-12)7-11(9-20)16(22)21-15-6-5-13(18)8-14(15)19/h1-8H,(H,21,22)
InChIK	SNEAZBGSUUXXIK-UHFFFAOYSA-N
TotalMolweight	318.709
Molweight	318.709
MonoisotopicMass	318.037146
CLogP	3.7959
CLogS	-5.134
H Acceptors	3
H Donors	1
TotalSurfaceArea	236.77
Relative PSA	0.16075
PolarSurfaceArea	52.89
Druglikeness	-3.0415
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	2
Amides	1
StereoCon

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