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

Formula:C16H8N3O3F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-3-(4-nitrophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-(4-nitrophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
MolecularFormula	C16H8N3O3F3
Smiles	N#C/C(/C(Nc(c(F)c1F)ccc1F)=O)=C\c(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C16H8F3N3O3/c17-12-5-6-13(15(19)14(12)18)21-16(23)10(8-20)7-9-1-3-11(4-2-9)22(24)25/h1-7H,(H,21,23)
InChIK	YNVRTKVDCKRDNN-UHFFFAOYSA-N
TotalMolweight	347.252
Molweight	347.252
MonoisotopicMass	347.051776
CLogP	2.3691
CLogS	-5.172
H Acceptors	6
H Donors	1
TotalSurfaceArea	251.37
Relative PSA	0.27243
PolarSurfaceArea	98.71
Druglikeness	-8.1909
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro; polyhalo aromatic ring
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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